data_2n3b_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n3b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.563 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.432 ' NE1' ' HA ' ' A' ' 40' ' ' THR . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HZ1' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.561 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.421 ' H ' ' HZ1' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.514 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 75.6 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.406 HD21 ' H ' ' A' ' 33' ' ' HIS . 0.6 OUTLIER -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 6.8 tt0 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 40' ' ' THR . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.514 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' ' OG1' ' A' ' 102' ' ' THR . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.448 ' CZ3' ' HB3' ' A' ' 38' ' ' ARG . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.58 ' N ' ' HG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.638 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.422 ' N ' HD21 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.424 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.462 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.0 m-70 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.418 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' N ' ' HG1' ' A' ' 63' ' ' THR . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.415 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HZ1' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 33' ' ' HIS . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HZ2' ' HG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 40' ' ' THR . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.41 ' HG1' ' HZ2' ' A' ' 39' ' ' LYS . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.444 ' O ' ' OG1' ' A' ' 102' ' ' THR . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.46 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.445 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.467 HE21 ' CG ' ' A' ' 38' ' ' ARG . 18.2 tt0 . . . . . 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.907 0.385 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.445 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.561 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 88' ' ' LYS . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 46.0 m-70 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.438 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.423 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.497 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.52 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' LEU . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.542 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 19' ' ' THR . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.508 HD21 ' CE1' ' A' ' 33' ' ' HIS . 40.8 p-10 -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.545 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.5 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.57 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.502 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.502 ' H ' HD21 ' A' ' 70' ' ' ASN . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.426 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.474 ' NH1' ' CD ' ' A' ' 69' ' ' GLU . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' O ' ' OG1' ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.496 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 50.5 m-70 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 33' ' ' HIS . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' HG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.565 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.5 m-70 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLY . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.468 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.468 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.2 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.896 0.379 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.413 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 57' ' ' ILE . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' HG1' ' A' ' 63' ' ' THR . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' O ' ' OG1' ' A' ' 102' ' ' THR . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 44.3 m-70 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.9 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.417 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.574 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.574 ' H ' HD21 ' A' ' 70' ' ' ASN . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 14.7 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 52.6 m-70 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.549 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.528 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.528 ' H ' HD21 ' A' ' 70' ' ' ASN . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 102' ' ' THR . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.7 m-70 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.522 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 33' ' ' HIS . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.504 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.608 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.594 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 31' ' ' ASN . 1.7 m-70 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.3 tt0 . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.965 0.412 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.404 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.506 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.53 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.3 tt0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.601 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.446 ' CZ3' ' CB ' ' A' ' 38' ' ' ARG . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.403 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.551 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' A' ' 102' ' ' THR . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.434 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 31' ' ' ASN . 1.8 p-10 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.982 0.42 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.402 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.572 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.671 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.432 ' N ' HD21 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.4 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.945 0.402 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.56 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' LEU . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.447 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 45.3 m-70 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' ALA . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.585 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.482 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 . . . . . 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.414 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' CB ' ' A' ' 38' ' ' ARG . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.577 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.422 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 52' ' ' ASN . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.957 0.408 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.42 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.478 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.9 m-70 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.533 ' ND1' ' H ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HZ2' ' CD1' ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.559 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.413 ' CD1' ' HZ2' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 102' ' ' THR . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.6 m-70 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.444 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 17.6 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 47' ' ' THR . 9.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 102' ' ' THR . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 . . . . . 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.552 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.416 ' C ' ' N ' ' A' ' 99' ' ' LYS . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 60.8 m-70 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 33' ' ' HIS . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' HIS . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.478 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.8 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.414 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.632 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.484 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.479 ' O ' ' OG1' ' A' ' 102' ' ' THR . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 4' ' ' GLU . 77.2 m-20 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' ND1' ' H ' ' A' ' 26' ' ' HIS . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' CG ' ' ND1' ' A' ' 33' ' ' HIS . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.494 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.533 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.494 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.532 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.554 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.54 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.437 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' LYS . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.63 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.583 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.494 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.9 m-70 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 101' ' ' ALA . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.528 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.581 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 1.2 tm0? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.647 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.647 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' A' ' 40' ' ' THR . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.565 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.0 m-70 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 102' ' ' THR . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.421 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' OE1' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.97 0.414 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.534 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.48 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' LEU . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.573 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.426 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.517 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.947 0.403 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.462 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.624 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.492 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.474 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.494 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.494 ' H ' HD21 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.6 m-70 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.536 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 5.6 tt0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.451 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.632 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.544 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.602 ' N ' ' HG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.602 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 75' ' ' ILE . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.9 tt0 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.416 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.619 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.543 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.496 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' LEU . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.449 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.449 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.423 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.514 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.7 tt0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.457 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.621 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.549 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.523 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.448 ' O ' ' OG1' ' A' ' 102' ' ' THR . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 . . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' HIS . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.479 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.479 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.529 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.56 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' A' ' 102' ' ' THR . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.529 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 -128.57 88.38 2.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' O ' ' O ' ' A' ' 303' ' ' HOH . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.563 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 -114.12 -19.11 11.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 121.66 74.68 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.475 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.17 110.79 2.8 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.338 2.026 . . . . 0.0 112.059 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.0 -81.47 0.11 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -72.46 152.23 42.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m -76.85 84.71 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.547 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HZ1' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.561 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.421 ' H ' ' HZ1' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' CG2' ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.671 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.4 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.531 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.482 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 -113.84 87.97 2.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' SG ' HMB3 ' A' ' 201' ' ' HEC . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.514 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 75.6 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.53 ' O ' ' O ' ' A' ' 303' ' ' HOH . 0.6 OUTLIER -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 6.8 tt0 -116.05 -19.12 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.54 124.02 86.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.413 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.63 114.25 3.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.369 2.046 . . . . 0.0 112.175 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.06 -83.79 0.12 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -71.07 152.06 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m -78.69 84.76 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.514 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' ' OG1' ' A' ' 102' ' ' THR . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.436 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.64 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.41 ' O ' HD12 ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.53 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.477 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 -151.64 87.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.406 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 303' ' ' HOH . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -118.64 -12.49 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.94 118.21 55.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.1 115.48 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.437 2.092 . . . . 0.0 112.169 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -81.05 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.94 153.6 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.692 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -76.71 83.75 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.749 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.643 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.58 ' N ' ' HG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.638 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.422 ' N ' HD21 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.424 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.462 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.749 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.401 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.457 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 -119.5 88.89 3.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.0 m-70 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.477 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 101' ' ' ALA . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.545 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -115.63 -19.11 10.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.12 123.92 82.03 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.09 111.41 2.91 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.335 2.023 . . . . 0.0 112.231 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.33 -79.17 0.16 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -70.91 155.11 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m -80.94 87.67 5.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.518 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' N ' ' HG1' ' A' ' 63' ' ' THR . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.415 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.654 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.557 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.488 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -132.42 88.93 2.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HZ1' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.418 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' NH2' ' O1A' ' A' ' 201' ' ' HEC . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HZ2' ' HG1' ' A' ' 58' ' ' THR . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -118.68 -18.79 8.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.463 ' CB ' ' NH2' ' A' ' 38' ' ' ARG . . . -58.84 122.47 62.19 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.17 109.2 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.355 2.037 . . . . 0.0 112.166 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.11 -81.33 0.13 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.1 t80 -70.96 152.12 43.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.655 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 90.2 m -80.29 84.38 5.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.546 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.41 ' HG1' ' HZ2' ' A' ' 39' ' ' LYS . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.526 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.46 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.546 ' O1D' ' ND2' ' A' ' 52' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.526 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.472 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.472 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 -152.68 88.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.489 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' N ' ' OD1' ' A' ' 31' ' ' ASN . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.427 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.445 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.467 HE21 ' CG ' ' A' ' 38' ' ' ARG . 18.2 tt0 -116.72 -18.98 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.33 120.27 57.17 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.603 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.94 115.22 3.75 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.271 1.981 . . . . 0.0 112.173 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -69.42 0.27 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -83.93 154.24 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -82.44 87.58 6.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.224 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.531 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.531 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.662 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 88' ' ' LYS . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.487 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.662 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.415 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.522 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.464 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 -144.85 85.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.42 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 46.0 m-70 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.487 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.423 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.497 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -102.62 -19.38 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.6 120.9 79.09 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.177 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.88 -13.88 15.73 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.368 2.046 . . . . 0.0 112.293 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.2 -78.94 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -86.97 155.18 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -71.33 84.5 0.79 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.45 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.708 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.614 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 64' ' ' LEU . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.542 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.708 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.42 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.534 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.487 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' CA ' ' OE2' ' A' ' 92' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 -109.85 82.79 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.434 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 19' ' ' THR . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.545 ' O ' ' O ' ' A' ' 303' ' ' HOH . 40.8 p-10 -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.545 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.5 tt0 -112.37 -19.1 12.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.22 121.21 68.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.24 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.74 112.85 3.2 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.421 2.081 . . . . 0.0 112.132 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.14 -82.23 0.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.68 154.83 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.734 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -79.95 84.93 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.757 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.625 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.502 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.502 ' H ' HD21 ' A' ' 70' ' ' ASN . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.426 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.474 ' NH1' ' CD ' ' A' ' 69' ' ' GLU . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' OE2' ' CA ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' O ' ' OG1' ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.496 HD21 ' N ' ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.757 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.545 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.463 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -130.3 88.51 2.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HMB3 ' A' ' 201' ' ' HEC . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 50.5 m-70 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.529 ' O ' ' O ' ' A' ' 303' ' ' HOH . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -115.58 -18.96 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.78 124.21 86.89 Favored Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.333 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.99 117.28 3.86 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.298 1.999 . . . . 0.0 112.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.53 -80.86 0.16 Allowed Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.83 151.68 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m -75.65 84.53 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.495 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.424 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.661 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.572 ' N ' ' HG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.572 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' LEU . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' ' CG2' ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.661 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.529 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.483 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 -145.11 85.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.5 m-70 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' GLY . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.468 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.2 tt0 -117.24 -19.0 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.7 121.44 61.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.342 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.01 116.81 3.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.29 1.993 . . . . 0.0 112.065 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.92 -78.63 0.19 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -70.96 149.43 46.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m -75.67 84.58 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' N ' HD11 ' A' ' 57' ' ' ILE . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' HG1' ' A' ' 63' ' ' THR . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.567 ' O1D' ' CD1' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.486 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.495 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.458 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -110.49 89.26 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 44.3 m-70 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.436 ' O ' ' O ' ' A' ' 101' ' ' ALA . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.9 tt0 -107.62 -19.1 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.34 121.99 83.54 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.496 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.71 17.71 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.375 2.05 . . . . 0.0 112.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 -64.01 2.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.5 t80 -96.54 154.97 16.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 60.5 m -71.37 85.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.479 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.444 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.574 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' H ' HD21 ' A' ' 70' ' ' ASN . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.455 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.671 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.464 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 -130.88 89.82 2.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 14.7 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 52.6 m-70 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.534 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 -111.27 -19.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.16 120.05 64.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.389 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.11 113.65 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.452 2.101 . . . . 0.0 111.972 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.58 -79.6 0.17 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -70.89 145.66 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.667 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -72.85 81.43 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.535 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.748 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.528 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.528 ' H ' HD21 ' A' ' 70' ' ' ASN . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.517 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.748 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.517 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.534 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.515 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.85 85.23 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.7 m-70 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.522 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.465 ' O ' ' O ' ' A' ' 303' ' ' HOH . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 33' ' ' HIS . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.17 -7.1 11.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.39 122.63 84.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.341 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.85 113.44 3.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.308 2.005 . . . . 0.0 112.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.63 -82.54 0.12 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -70.89 149.23 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -71.51 83.15 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.492 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.608 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.594 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.594 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.652 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.465 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.454 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.2 84.45 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CE1' HD21 ' A' ' 31' ' ' ASN . 1.7 m-70 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 303' ' ' HOH . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.3 tt0 -106.1 -19.07 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.33 117.69 67.04 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.47 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.72 20.69 0.94 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.526 2.151 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.83 -43.79 9.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -122.25 155.36 36.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m -70.82 82.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.218 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.692 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.506 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.692 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.544 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.468 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -140.21 85.18 2.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' HMB3 ' A' ' 201' ' ' HEC . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' O ' ' O ' ' A' ' 303' ' ' HOH . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.53 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.3 tt0 -114.71 -18.97 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.89 122.13 81.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.552 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.61 108.27 2.42 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.331 2.02 . . . . 0.0 112.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.72 -81.59 0.1 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -70.89 153.56 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m -77.84 83.53 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.495 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.601 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.563 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.403 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.551 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' O ' ' OG1' ' A' ' 102' ' ' THR . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.66 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.405 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.524 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.484 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 -107.66 88.3 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.517 ' O ' ' O ' ' A' ' 303' ' ' HOH . 1.8 p-10 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -106.72 -19.1 13.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 138.01 50.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.035 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 46' ' ' PHE . 73.6 Cg_endo -74.58 -100.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.24 1.96 . . . . 0.0 111.726 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.51 -89.67 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' PRO . 52.2 t80 -74.45 154.88 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 97.4 m -84.75 88.7 7.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.677 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.671 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' N ' HD21 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.444 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.444 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.482 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.677 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.432 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.517 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.472 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 -148.68 85.15 1.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.4 tt0 -109.6 -7.72 15.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.27 116.74 65.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.36 36.8 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.293 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.98 -68.58 0.79 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 47' ' ' THR . 15.2 t80 -93.02 155.25 17.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.681 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.439 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 6.2 m -71.11 83.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.196 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.755 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.635 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 64' ' ' LEU . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.447 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.755 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.431 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.526 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.454 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 -106.69 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.417 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 45.3 m-70 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' ALA . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 303' ' ' HOH . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.482 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 -112.18 -19.02 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.91 120.77 78.39 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.393 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.81 108.06 2.36 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.271 1.981 . . . . 0.0 112.055 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.47 -81.86 0.09 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -70.89 151.35 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m -73.63 83.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.507 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.414 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' LEU . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.577 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.427 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.428 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.451 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.675 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.465 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.577 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.475 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 -142.51 87.63 2.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' LYS . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 37' ' ' GLY . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 52' ' ' ASN . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -131.21 5.34 4.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.8 131.39 85.91 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.246 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.37 108.09 2.53 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.296 1.998 . . . . 0.0 112.051 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.5 -89.77 0.11 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.87 153.53 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -81.39 85.65 6.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.39 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.443 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.478 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ3' ' O ' ' A' ' 302' ' ' HOH . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 102' ' ' THR . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.459 ' CMD' ' O ' ' A' ' 79' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.448 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . 0.431 ' O ' ' CZ3' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.451 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.47 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 -106.06 87.93 2.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.9 m-70 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.454 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.533 ' ND1' ' H ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.463 ' CG2' ' O ' ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.569 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.57 -19.11 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.22 120.12 72.45 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.602 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.82 87.96 1.48 Allowed 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.364 2.043 . . . . 0.0 112.037 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.19 -82.19 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.97 154.91 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.634 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 80.6 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.401 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.759 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.449 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.634 ' CZ2' ' CGA' ' A' ' 201' ' ' HEC . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' HZ2' ' CD1' ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.559 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.439 ' HG1' ' CGD' ' A' ' 201' ' ' HEC . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.413 ' CD1' ' HZ2' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.759 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.559 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.484 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.462 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 -100.63 87.84 3.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.6 m-70 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' O ' ' A' ' 303' ' ' HOH . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 33' ' ' HIS . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.444 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 17.6 tt0 -115.26 -18.97 10.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.12 124.82 85.3 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.392 -179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.75 112.96 3.21 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.276 1.984 . . . . 0.0 112.088 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.55 -82.02 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.408 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -71.1 152.75 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 47' ' ' THR . 9.4 t -77.94 84.16 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.532 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.659 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.659 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.542 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.533 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 -130.93 87.07 2.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 -113.83 -19.17 11.6 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.32 123.49 80.88 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.419 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.55 94.8 1.04 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.326 2.018 . . . . 0.0 112.071 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.47 -81.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -70.86 150.92 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -75.41 83.99 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.482 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.414 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.5 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.416 ' C ' ' N ' ' A' ' 99' ' ' LYS . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.537 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.632 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.543 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.494 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -120.52 86.75 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 60.8 m-70 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.515 ' O ' ' O ' ' A' ' 303' ' ' HOH . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.526 ' N ' ' O ' ' A' ' 33' ' ' HIS . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.478 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.8 tt0 -115.01 -17.97 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.35 124.88 87.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.493 -179.763 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.6 105.32 1.94 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.338 2.025 . . . . 0.0 112.135 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 33.5 t80 -70.86 155.11 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 32.7 m -80.29 82.84 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.508 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.632 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.484 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.458 ' OG1' ' CGD' ' A' ' 201' ' ' HEC . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.542 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.657 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.542 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.515 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.467 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 77.2 m-20 -148.62 87.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' ND1' ' H ' ' A' ' 26' ' ' HIS . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.578 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.494 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.9 tt0 -105.27 -19.07 13.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 48' ' ' TYR . . . -81.84 133.51 51.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 46' ' ' PHE . 71.7 Cg_endo -75.4 -100.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.204 1.936 . . . . 0.0 111.629 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.92 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 44' ' ' PRO . 33.5 t80 -73.96 154.89 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 111.085 -179.532 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m -83.0 88.53 6.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.497 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.739 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.532 ' OG1' ' NZ ' ' A' ' 39' ' ' LYS . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.623 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.54 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.54 ' H ' HD21 ' A' ' 70' ' ' ASN . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.437 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.739 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.41 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.578 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.479 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 -139.36 83.78 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' A' ' 101' ' ' ALA . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 27' ' ' LYS . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.533 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.408 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -112.8 -19.09 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.58 122.97 83.19 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.274 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.18 116.82 3.98 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.304 2.002 . . . . 0.0 112.05 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.22 -81.59 0.15 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -71.42 151.07 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -76.23 83.22 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.681 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.63 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.621 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.494 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 64' ' ' LEU . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.459 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.491 ' O ' ' OG1' ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.681 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.533 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.481 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 -95.09 86.23 4.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.9 m-70 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' ' 101' ' ' ALA . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.528 ' H ' ' ND1' ' A' ' 26' ' ' HIS . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 27' ' ' LYS . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.557 ' O ' ' O ' ' A' ' 303' ' ' HOH . 0.1 OUTLIER -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.581 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 1.2 tm0? -113.79 -19.31 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.17 123.24 83.52 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.355 179.833 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.34 121.98 5.45 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.344 2.03 . . . . 0.0 112.053 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.28 -84.66 0.14 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 47' ' ' THR . 67.9 t80 -70.85 154.82 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 29.8 m -78.53 84.22 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.53 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.647 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.647 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.565 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.565 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.671 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.557 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.488 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 -99.0 86.62 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.419 ' SG ' HMB2 ' A' ' 201' ' ' HEC . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.0 m-70 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.562 ' O ' ' O ' ' A' ' 303' ' ' HOH . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 102' ' ' THR . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.421 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' OE1' ' NZ ' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -114.41 -19.25 11.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.24 120.97 69.31 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.471 -179.703 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.71 110.51 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.254 1.969 . . . . 0.0 112.179 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.55 -78.41 0.17 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.92 154.87 41.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.797 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -82.24 87.58 6.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.612 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.48 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' LEU . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.573 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.426 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.517 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.648 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.562 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.463 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 -137.54 85.24 2.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' O ' ' O ' ' A' ' 101' ' ' ALA . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 303' ' ' HOH . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -103.67 -19.06 14.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.59 119.61 75.93 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -78.1 -14.23 15.19 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.414 2.076 . . . . 0.0 112.281 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.12 -67.52 0.95 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 47' ' ' THR . 13.2 t80 -98.51 154.98 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.84 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 14.6 m -72.52 85.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.28 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.739 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.624 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.494 HD21 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.494 ' H ' HD21 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.45 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.739 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.491 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 -160.34 87.45 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' SG ' HMB3 ' A' ' 201' ' ' HEC . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.6 m-70 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.501 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 101' ' ' ALA . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.56 ' O ' ' O ' ' A' ' 303' ' ' HOH . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 33' ' ' HIS . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.536 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 5.6 tt0 -111.96 -14.64 13.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.77 119.38 70.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.57 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.57 119.54 4.13 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.346 2.031 . . . . 0.0 111.903 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.35 -84.16 0.14 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -71.06 151.64 44.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.299 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -72.4 81.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.734 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.607 ' CZ2' ' CGA' ' A' ' 201' ' ' HEC . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' N ' ' HG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.602 ' HG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' LEU . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HD11 HG21 ' A' ' 75' ' ' ILE . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' O ' ' OG1' ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.734 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.56 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.501 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 -115.94 84.26 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.485 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.506 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 33' ' ' HIS . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.9 tt0 -104.22 -19.14 14.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.66 122.89 85.39 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.119 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.78 -6.7 16.23 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.25 1.967 . . . . 0.0 112.176 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.71 -70.56 0.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -97.48 154.64 17.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m -71.96 85.62 0.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.751 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.619 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.625 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.496 ' N ' ' HG1' ' A' ' 63' ' ' THR . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' LEU . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.449 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.449 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' A' ' 81' ' ' ILE . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.438 ' O ' ' OG1' ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.751 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.415 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.506 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.455 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 -93.92 83.89 4.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.412 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' A' ' 33' ' ' HIS . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.514 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.7 tt0 -114.06 -9.06 13.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.19 118.38 68.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.355 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.89 117.33 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.404 2.07 . . . . 0.0 112.071 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.08 -75.38 0.21 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.86 153.9 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -76.71 82.48 3.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.723 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.621 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.549 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' N ' ' HG1' ' A' ' 63' ' ' THR . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' N ' HD21 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.448 ' O ' ' OG1' ' A' ' 102' ' ' THR . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.723 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.408 ' O ' ' CD1' ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.471 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.471 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -136.58 84.73 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 179.902 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 304' ' ' HOH . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' A' ' 101' ' ' ALA . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' O ' ' O ' ' A' ' 303' ' ' HOH . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' ' O ' ' A' ' 33' ' ' HIS . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.413 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.479 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -115.01 -8.73 12.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.22 122.24 86.93 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.525 179.949 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.86 119.12 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.364 2.043 . . . . 0.0 112.014 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.11 -83.1 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -70.99 147.8 48.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 81.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.735 ' HH ' ' CGA' ' A' ' 201' ' ' HEC . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.411 ' C ' ' CD1' ' A' ' 57' ' ' ILE . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.623 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.529 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.56 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.529 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 201' ' ' HEC . . . . . 0.735 ' CGA' ' HH ' ' A' ' 48' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 301' ' ' HOH . . . . . 0.494 ' O ' ' CD1' ' A' ' 98' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 303' ' ' HOH . . . . . 0.547 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 304' ' ' HOH . . . . . 0.476 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HD3' HE22 ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 8' ' ' LYS . 7.0 pt20 -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 19' ' ' THR . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.809 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.446 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.2 p-10 -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 95' ' ' ILE . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.628 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 95' ' ' ILE . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.656 ' NE2' ' CZ ' ' A' ' 82' ' ' PHE . 34.3 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 HD12 ' A' ' 32' ' ' LEU . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 21.6 p30 -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 HG12 ' A' ' 20' ' ' VAL . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 40' ' ' THR . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.464 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.412 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.624 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.625 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 85' ' ' ILE . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 102' ' ' THR . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' NZ ' HG22 ' A' ' 95' ' ' ILE . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.737 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.49 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.495 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.658 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' N ' ' OG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 95' ' ' ILE . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.638 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 68' ' ' LEU . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 102' ' ' THR . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 98' ' ' LEU . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' VAL . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 10' ' ' PHE . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' OD1' ' O ' ' A' ' 31' ' ' ASN . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 32' ' ' LEU . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.444 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 4.0 p-10 -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 57' ' ' ILE . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.775 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 95' ' ' ILE . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.715 ' C ' HD12 ' A' ' 81' ' ' ILE . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.541 HD11 HD12 ' A' ' 68' ' ' LEU . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' THR . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 64' ' ' LEU . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' HD12 ' A' ' 64' ' ' LEU . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 40' ' ' THR . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 4.0 p-10 -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' HG22 ' A' ' 40' ' ' THR . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 35' ' ' LEU . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.436 HD12 HD11 ' A' ' 95' ' ' ILE . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 95' ' ' ILE . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' THR . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 20' ' ' VAL . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 64' ' ' LEU . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.441 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.907 0.385 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 75' ' ' ILE . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.66 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 95' ' ' ILE . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.572 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.404 HG21 ' OD1' ' A' ' 52' ' ' ASN . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 78' ' ' THR . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.572 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 57' ' ' ILE . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 77' ' ' GLY . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.473 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.8 p-10 -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.722 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 65' ' ' MET . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 95' ' ' ILE . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' HG21 ' A' ' 49' ' ' THR . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.611 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 68' ' ' LEU . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.582 ' C ' HD21 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.794 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 64' ' ' LEU . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.8 p-10 -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.595 ' N ' HD12 ' A' ' 57' ' ' ILE . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.794 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.678 HD12 HD11 ' A' ' 95' ' ' ILE . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.678 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 104' ' ' GLU . 5.3 m-20 -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 28' ' ' THR . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 31' ' ' ASN . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.8 p-10 -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.69 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 95' ' ' ILE . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.616 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.702 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' NE2' ' CE1' ' A' ' 82' ' ' PHE . 22.0 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.402 ' CG ' ' O ' ' A' ' 17' ' ' CYS . 30.4 m80 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 64' ' ' LEU . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.896 0.379 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.471 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 4.7 p-10 -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.878 HD11 HD23 ' A' ' 35' ' ' LEU . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 95' ' ' ILE . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' CE1' ' NE2' ' A' ' 16' ' ' GLN . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.702 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HG21 ' A' ' 85' ' ' ILE . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.627 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 102' ' ' THR . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.1 m-20 -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 3' ' ' VAL . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD3' HE22 ' A' ' 12' ' ' GLN . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 HE22 ' HD3' ' A' ' 8' ' ' LYS . 8.8 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 10' ' ' PHE . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.467 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' O ' ' A' ' 77' ' ' GLY . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 57' ' ' ILE . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.818 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HE2' HD11 ' A' ' 81' ' ' ILE . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' HG21 ' A' ' 49' ' ' THR . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.67 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 80' ' ' MET . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.59 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.59 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 68' ' ' LEU . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 14.7 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 32' ' ' LEU . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' THR . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 20' ' ' VAL . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.74 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 95' ' ' ILE . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.659 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.758 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' HG21 ' A' ' 85' ' ' ILE . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.644 ' HA ' HD12 ' A' ' 98' ' ' LEU . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 95' ' ' ILE . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 31' ' ' ASN . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.647 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.42 ' C ' HD12 ' A' ' 81' ' ' ILE . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 68' ' ' LEU . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.4 m-20 -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.7 m170 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.443 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.965 0.412 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 HG21 ' O ' ' A' ' 77' ' ' GLY . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.0 p-10 -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' SD ' ' A' ' 65' ' ' MET . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 95' ' ' ILE . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.557 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.599 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 68' ' ' LEU . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.4 m-20 -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 20' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.576 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.801 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 95' ' ' ILE . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.636 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.688 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' THR . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.752 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.982 0.42 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 77' ' ' GLY . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.1 p-10 -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.752 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.671 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 49' ' ' THR . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 102' ' ' THR . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HD3' HE22 ' A' ' 12' ' ' GLN . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.526 HE22 ' HD3' ' A' ' 8' ' ' LYS . 6.9 pt20 -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 28' ' ' THR . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 64' ' ' LEU . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.945 0.402 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HD11 ' A' ' 95' ' ' ILE . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 68' ' ' LEU . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 102' ' ' THR . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 19' ' ' THR . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.6 p-10 -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.675 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.667 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 95' ' ' ILE . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.732 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 80' ' ' MET . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 68' ' ' LEU . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HD3' HE22 ' A' ' 12' ' ' GLN . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.434 HE22 ' HD3' ' A' ' 8' ' ' LYS . 8.8 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 19' ' ' THR . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 28' ' ' THR . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 64' ' ' LEU . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 57' ' ' ILE . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' H ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.957 0.408 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.734 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 40' ' ' THR . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 35' ' ' LEU . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 95' ' ' ILE . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.669 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 68' ' ' LEU . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 102' ' ' THR . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.502 HG21 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 32' ' ' LEU . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 31' ' ' ASN . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.759 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.6 p-10 -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.528 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.645 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.759 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.523 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.523 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 32' ' ' LEU . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 31' ' ' ASN . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 HG12 ' A' ' 20' ' ' VAL . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 47' ' ' THR . 9.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 77' ' ' GLY . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.6 p-10 -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 58' ' ' THR . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.626 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' O ' HG21 ' A' ' 49' ' ' THR . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.409 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.608 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 95' ' ' ILE . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 28' ' ' THR . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.807 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' HD12 ' A' ' 64' ' ' LEU . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.442 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 . . . . . 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 77' ' ' GLY . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.7 p-10 -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' N ' ' A' ' 58' ' ' THR . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.668 ' N ' HD12 ' A' ' 57' ' ' ILE . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.807 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 95' ' ' ILE . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 49' ' ' THR . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 78' ' ' THR . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.488 HG22 ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 19' ' ' THR . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 64' ' ' LEU . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.462 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.6 p-10 -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.562 ' N ' HD12 ' A' ' 57' ' ' ILE . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.524 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.524 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 4' ' ' GLU . 77.2 m-20 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' CG ' ' ND1' ' A' ' 33' ' ' HIS . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.79 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.3 p-10 -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.577 ' N ' HD12 ' A' ' 57' ' ' ILE . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.711 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.595 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 28' ' ' THR . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.5 p-10 -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.624 ' N ' HD12 ' A' ' 57' ' ' ILE . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 95' ' ' ILE . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.657 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.595 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 68' ' ' LEU . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.6 m80 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 10' ' ' PHE . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 28' ' ' THR . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.581 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 10.8 tm0? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 3.4 p-10 -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 58' ' ' THR . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.584 HD12 HD11 ' A' ' 95' ' ' ILE . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.518 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.411 ' C ' HD12 ' A' ' 81' ' ' ILE . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.584 HD11 HD12 ' A' ' 68' ' ' LEU . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 30.1 m80 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 19' ' ' THR . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 28' ' ' THR . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 32' ' ' LEU . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.97 0.414 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.7 p-10 -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.721 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.495 ' N ' HD12 ' A' ' 57' ' ' ILE . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.624 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 95' ' ' ILE . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' THR . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.436 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 68' ' ' LEU . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 102' ' ' THR . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 98' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 28' ' ' THR . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 32' ' ' LEU . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.947 0.403 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.481 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.4 p-10 -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.579 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 65' ' ' MET . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' NZ ' HG11 ' A' ' 11' ' ' VAL . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HD3' HE22 ' A' ' 12' ' ' GLN . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 7' ' ' LYS . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.469 HE22 ' HD3' ' A' ' 8' ' ' LYS . 7.5 pt20 -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.81 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.405 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.5 p-10 -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 95' ' ' ILE . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.548 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 68' ' ' LEU . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 57' ' ' ILE . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.467 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.517 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 95' ' ' ILE . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.488 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.488 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.602 HD12 ' C ' ' A' ' 80' ' ' MET . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.501 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 68' ' ' LEU . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.749 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.48 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.785 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.8 p-10 -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 57' ' ' ILE . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.749 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' N ' HD22 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.785 ' O ' HG21 ' A' ' 49' ' ' THR . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.719 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 80' ' ' MET . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 8.1 m-20 -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 . . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.464 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.594 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.2 tm0? . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.502 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.7 p-10 -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 58' ' ' THR . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.664 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 95' ' ' ILE . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 49' ' ' THR . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.472 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 95' ' ' ILE . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 -128.57 88.38 2.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HD3' HE22 ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.454 HE22 ' HD3' ' A' ' 8' ' ' LYS . 7.0 pt20 -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 19' ' ' THR . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.809 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.446 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -114.12 -19.11 11.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.77 121.66 74.68 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.475 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.17 110.79 2.8 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.338 2.026 . . . . 0.0 112.059 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.0 -81.47 0.11 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -72.46 152.23 42.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m -76.85 84.71 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.537 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.2 p-10 -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 95' ' ' ILE . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.628 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 95' ' ' ILE . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.678 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.776 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 -113.84 87.97 2.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.656 ' NE2' ' CZ ' ' A' ' 82' ' ' PHE . 34.3 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 HD12 ' A' ' 32' ' ' LEU . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 21.6 p30 -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 HG12 ' A' ' 20' ' ' VAL . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 40' ' ' THR . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.464 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -116.05 -19.12 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.54 124.02 86.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.413 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.63 114.25 3.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.369 2.046 . . . . 0.0 112.175 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.06 -83.79 0.12 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -71.07 152.06 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m -78.69 84.76 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.625 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.656 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CZ ' ' NE2' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 85' ' ' ILE . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 301' ' ' HOH . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' NZ ' HG22 ' A' ' 95' ' ' ILE . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.64 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.774 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 -151.64 87.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HB2' HMC3 ' A' ' 201' ' ' HEC . 74.5 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.737 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.49 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -118.64 -12.49 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -67.94 118.21 55.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.379 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.1 115.48 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.437 2.092 . . . . 0.0 112.169 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -81.05 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.94 153.6 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.692 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -76.71 83.75 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.421 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.658 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' N ' ' OG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.737 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.638 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 68' ' ' LEU . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 102' ' ' THR . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 98' ' ' LEU . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.737 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.737 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 -119.5 88.89 3.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' VAL . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.0 m-70 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 10' ' ' PHE . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 304' ' ' HOH . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 32' ' ' LEU . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -115.63 -19.11 10.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.12 123.92 82.03 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.408 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.09 111.41 2.91 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.335 2.023 . . . . 0.0 112.231 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.33 -79.17 0.16 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -70.91 155.11 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m -80.94 87.67 5.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.466 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 4.0 p-10 -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.699 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 57' ' ' ILE . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.782 HD13 ' O ' ' A' ' 301' ' ' HOH . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD21 HMB2 ' A' ' 201' ' ' HEC . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.715 ' C ' HD12 ' A' ' 81' ' ' ILE . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.541 HD11 HD12 ' A' ' 68' ' ' LEU . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.671 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.782 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.488 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -132.42 88.93 2.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.612 HG22 ' O ' ' A' ' 28' ' ' THR . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 64' ' ' LEU . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' HD12 ' A' ' 64' ' ' LEU . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.921 ' NH2' ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -118.68 -18.79 8.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.921 ' HB2' ' NH2' ' A' ' 38' ' ' ARG . . . -58.84 122.47 62.19 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.17 109.2 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.355 2.037 . . . . 0.0 112.166 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.11 -81.33 0.13 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.1 t80 -70.96 152.12 43.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.655 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 90.2 m -80.29 84.38 5.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.486 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.546 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 4.0 p-10 -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.752 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' HG22 ' A' ' 40' ' ' THR . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 301' ' ' HOH . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.599 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 95' ' ' ILE . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.599 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.882 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.472 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 -152.68 88.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' THR . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 20' ' ' VAL . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 64' ' ' LEU . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.441 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -116.72 -18.98 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -62.33 120.27 57.17 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.603 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.94 115.22 3.75 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.271 1.981 . . . . 0.0 112.173 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -69.42 0.27 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -83.93 154.24 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -82.44 87.58 6.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.224 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.452 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 75' ' ' ILE . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.662 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 95' ' ' ILE . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.572 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.404 HG21 ' OD1' ' A' ' 52' ' ' ASN . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 78' ' ' THR . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.572 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.665 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.764 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.455 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 -144.85 85.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 46.0 m-70 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 57' ' ' ILE . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -102.62 -19.38 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.6 120.9 79.09 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.177 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.88 -13.88 15.73 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.368 2.046 . . . . 0.0 112.293 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.2 -78.94 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -86.97 155.18 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -71.33 84.5 0.79 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.45 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 77' ' ' GLY . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.473 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.8 p-10 -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.722 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 65' ' ' MET . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 301' ' ' HOH . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD21 HMB2 ' A' ' 201' ' ' HEC . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' HG21 ' A' ' 49' ' ' THR . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.66 HD12 ' N ' ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.611 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 68' ' ' LEU . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.686 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.789 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' CA ' ' OE2' ' A' ' 92' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 -109.85 82.79 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.545 HD22 ' CE1' ' A' ' 33' ' ' HIS . 40.8 p-10 -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.794 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 64' ' ' LEU . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -112.37 -19.1 12.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.22 121.21 68.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.24 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.74 112.85 3.2 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.421 2.081 . . . . 0.0 112.132 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.14 -82.23 0.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.68 154.83 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.734 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -79.95 84.93 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.47 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.8 p-10 -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.663 HD12 ' C ' ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.595 ' N ' HD12 ' A' ' 57' ' ' ILE . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.794 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.678 HD12 HD11 ' A' ' 95' ' ' ILE . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' OE2' ' CA ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.678 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 104' ' ' GLU . 5.3 m-20 -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.637 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.743 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.429 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -130.3 88.51 2.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.501 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 50.5 m-70 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 28' ' ' THR . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.483 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD23 ' A' ' 32' ' ' LEU . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -115.58 -18.96 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.78 124.21 86.89 Favored Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.333 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.99 117.28 3.86 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.298 1.999 . . . . 0.0 112.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.53 -80.86 0.16 Allowed Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.83 151.68 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m -75.65 84.53 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.496 ' N ' ' OD1' ' A' ' 50' ' ' ASP . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.8 p-10 -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.69 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.661 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 95' ' ' ILE . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.616 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.662 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.756 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.483 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 -145.11 85.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.702 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.531 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.5 m-70 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 64' ' ' LEU . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -117.24 -19.0 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -60.7 121.44 61.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.342 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.01 116.81 3.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.29 1.993 . . . . 0.0 112.065 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.92 -78.63 0.19 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -70.96 149.43 46.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m -75.67 84.58 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.471 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 4.7 p-10 -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 302' ' ' HOH . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD21 HMB2 ' A' ' 201' ' ' HEC . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.702 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HG21 ' A' ' 85' ' ' ILE . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.627 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 102' ' ' THR . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.1 m-20 -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.688 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.895 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 302' ' ' HOH . . . . . 0.641 ' O ' HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.458 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -110.49 89.26 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 3' ' ' VAL . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' HD3' HE22 ' A' ' 12' ' ' GLN . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 HE22 ' HD3' ' A' ' 8' ' ' LYS . 8.8 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' CD ' HBB1 ' A' ' 201' ' ' HEC . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 44.3 m-70 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 10' ' ' PHE . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.597 HH12 ' HB2' ' A' ' 43' ' ' ALA . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.467 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -107.62 -19.1 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB2' HH12 ' A' ' 38' ' ' ARG . . . -79.34 121.99 83.54 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.496 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.71 17.71 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.375 2.05 . . . . 0.0 112.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 -64.01 2.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.5 t80 -96.54 154.97 16.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 60.5 m -71.37 85.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.543 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' O ' ' A' ' 77' ' ' GLY . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 57' ' ' ILE . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.818 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HE2' HD11 ' A' ' 81' ' ' ILE . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' HG21 ' A' ' 49' ' ' THR . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.67 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 80' ' ' MET . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.59 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.59 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 68' ' ' LEU . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.684 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.752 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 -130.88 89.82 2.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.59 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.59 ' NE2' ' O ' ' A' ' 12' ' ' GLN . 52.2 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 52.6 m-70 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 32' ' ' LEU . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' CG ' ' O ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' THR . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 20' ' ' VAL . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.74 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -111.27 -19.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -65.16 120.05 64.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.389 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.11 113.65 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.452 2.101 . . . . 0.0 111.972 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.58 -79.6 0.17 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -70.89 145.66 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.667 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -72.85 81.43 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.535 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.478 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.659 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.758 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' HG21 ' A' ' 85' ' ' ILE . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.644 ' HA ' HD12 ' A' ' 98' ' ' LEU . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 95' ' ' ILE . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.679 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.865 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.459 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.421 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.85 85.23 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.7 m-70 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.17 -7.1 11.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.39 122.63 84.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.341 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.85 113.44 3.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.308 2.005 . . . . 0.0 112.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.63 -82.54 0.12 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -70.89 149.23 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -71.51 83.15 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.492 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HMB2 ' A' ' 201' ' ' HEC . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.647 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.42 ' C ' HD12 ' A' ' 81' ' ' ILE . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 68' ' ' LEU . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.4 m-20 -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.687 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.751 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.454 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.2 84.45 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.642 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 1.7 m170 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.443 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -106.1 -19.07 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -77.33 117.69 67.04 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.72 20.69 0.94 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.526 2.151 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.83 -43.79 9.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -122.25 155.36 36.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m -70.82 82.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.218 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 HG21 ' O ' ' A' ' 77' ' ' GLY . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.0 p-10 -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.72 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' SD ' ' A' ' 65' ' ' MET . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 95' ' ' ILE . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.557 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.599 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD12 ' N ' ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 68' ' ' LEU . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 6.4 m-20 -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.652 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.751 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.475 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -140.21 85.18 2.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 20' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -114.71 -18.97 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -66.89 122.13 81.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.552 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.61 108.27 2.42 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.331 2.02 . . . . 0.0 112.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.72 -81.59 0.1 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -70.89 153.56 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m -77.84 83.53 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.2 p-10 -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.576 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.801 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 95' ' ' ILE . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.636 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.688 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.66 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.736 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 -107.66 88.3 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' THR . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.752 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -106.72 -19.1 13.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 138.01 50.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.035 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 46' ' ' PHE . 73.6 Cg_endo -74.58 -100.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.24 1.96 . . . . 0.0 111.726 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.51 -89.67 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' PRO . 52.2 t80 -74.45 154.88 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 97.4 m -84.75 88.7 7.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 77' ' ' GLY . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.465 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.1 p-10 -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.671 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 49' ' ' THR . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.657 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.793 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 -148.68 85.15 1.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.526 ' HD3' HE22 ' A' ' 12' ' ' GLN . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.526 HE22 ' HD3' ' A' ' 8' ' ' LYS . 6.9 pt20 -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 28' ' ' THR . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 64' ' ' LEU . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -109.6 -7.72 15.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -83.27 116.74 65.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.36 36.8 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.293 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.98 -68.58 0.79 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 47' ' ' THR . 15.2 t80 -93.02 155.25 17.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.681 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.439 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 6.2 m -71.11 83.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.196 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.635 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 301' ' ' HOH . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HD11 ' A' ' 95' ' ' ILE . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 68' ' ' LEU . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.635 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.8 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.435 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 -106.69 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 45.3 m-70 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 19' ' ' THR . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 303' ' ' HOH . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HG3' ' N ' ' A' ' 40' ' ' THR . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -112.18 -19.02 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -68.91 120.77 78.39 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.393 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.81 108.06 2.36 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.271 1.981 . . . . 0.0 112.055 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.47 -81.86 0.09 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -70.89 151.35 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m -73.63 83.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.458 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.6 p-10 -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.418 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.675 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 95' ' ' ILE . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.427 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.732 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 80' ' ' MET . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 68' ' ' LEU . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.681 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.824 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.577 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 -142.51 87.63 2.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.434 ' HD3' HE22 ' A' ' 12' ' ' GLN . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.434 HE22 ' HD3' ' A' ' 8' ' ' LYS . 8.8 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' CD ' HBB1 ' A' ' 201' ' ' HEC . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 19' ' ' THR . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.505 HG22 ' O ' ' A' ' 28' ' ' THR . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 64' ' ' LEU . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 57' ' ' ILE . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' H ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER -131.21 5.34 4.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.604 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -71.8 131.39 85.91 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.246 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.37 108.09 2.53 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.296 1.998 . . . . 0.0 112.051 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.5 -89.77 0.11 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.87 153.53 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -81.39 85.65 6.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.39 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.3 p-10 -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.734 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 40' ' ' THR . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 35' ' ' LEU . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.669 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 68' ' ' LEU . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.678 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.819 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.462 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 -106.06 87.93 2.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.583 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.9 m-70 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.502 HG21 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 32' ' ' LEU . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.728 HG22 ' O ' ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 31' ' ' ASN . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.759 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.57 -19.11 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.22 120.12 72.45 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.602 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.82 87.96 1.48 Allowed 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.364 2.043 . . . . 0.0 112.037 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.19 -82.19 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.97 154.91 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.634 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 80.6 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.401 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.6 p-10 -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.716 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.528 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.645 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 301' ' ' HOH . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 HMB2 ' A' ' 201' ' ' HEC . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.523 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.523 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.658 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.889 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.462 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 -100.63 87.84 3.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.6 m-70 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 32' ' ' LEU . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 303' ' ' HOH . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 HG12 ' A' ' 20' ' ' VAL . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -115.26 -18.97 10.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.12 124.82 85.3 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.75 112.96 3.21 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.276 1.984 . . . . 0.0 112.088 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.55 -82.02 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.408 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -71.1 152.75 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.712 ' O ' HG23 ' A' ' 47' ' ' THR . 9.4 t -77.94 84.16 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 77' ' ' GLY . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.6 p-10 -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 58' ' ' THR . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.626 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.659 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.6 HD21 HMB2 ' A' ' 201' ' ' HEC . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' O ' HG21 ' A' ' 49' ' ' THR . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.409 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.608 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 95' ' ' ILE . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.684 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.898 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.45 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 -130.93 87.07 2.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.533 HG22 ' O ' ' A' ' 28' ' ' THR . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.807 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' HD12 ' A' ' 64' ' ' LEU . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -113.83 -19.17 11.6 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.32 123.49 80.88 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.419 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.55 94.8 1.04 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.326 2.018 . . . . 0.0 112.071 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.47 -81.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -70.86 150.92 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -75.41 83.99 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.482 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 77' ' ' GLY . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.461 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.7 p-10 -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' N ' ' A' ' 58' ' ' THR . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.668 ' N ' HD12 ' A' ' 57' ' ' ILE . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 95' ' ' ILE . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 49' ' ' THR . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 78' ' ' THR . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.5 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.632 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.876 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -120.52 86.75 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.558 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 60.8 m-70 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.488 HG22 ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 19' ' ' THR . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' N ' HD23 ' A' ' 32' ' ' LEU . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 64' ' ' LEU . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -115.01 -17.97 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.35 124.88 87.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.493 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.6 105.32 1.94 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.338 2.025 . . . . 0.0 112.135 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 33.5 t80 -70.86 155.11 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 32.7 m -80.29 82.84 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.462 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . 1.6 p-10 -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.562 ' N ' HD12 ' A' ' 57' ' ' ILE . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.908 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.617 HD21 HMB2 ' A' ' 201' ' ' HEC . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.524 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.458 ' OG1' ' CGD' ' A' ' 201' ' ' HEC . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.494 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.664 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.908 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 77.2 m-20 -148.62 87.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.79 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -105.27 -19.07 13.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.84 133.51 51.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 46' ' ' PHE . 71.7 Cg_endo -75.4 -100.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.204 1.936 . . . . 0.0 111.629 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.92 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 44' ' ' PRO . 33.5 t80 -73.96 154.89 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 111.085 -179.532 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m -83.0 88.53 6.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.497 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CD2' ' O1D' ' A' ' 201' ' ' HEC . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.441 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.3 p-10 -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.577 ' N ' HD12 ' A' ' 57' ' ' ILE . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.623 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.711 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.623 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.79 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.526 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 -139.36 83.78 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 28' ' ' THR . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -112.8 -19.09 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.58 122.97 83.19 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.18 116.82 3.98 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.304 2.002 . . . . 0.0 112.05 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.22 -81.59 0.15 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -71.42 151.07 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -76.23 83.22 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.48 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.5 p-10 -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.624 ' N ' HD12 ' A' ' 57' ' ' ILE . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.713 HD21 HMB2 ' A' ' 201' ' ' HEC . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.657 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.595 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 68' ' ' LEU . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.713 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.79 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 -95.09 86.23 4.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.9 m-70 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 10' ' ' PHE . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.554 HG22 ' O ' ' A' ' 28' ' ' THR . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.739 HD21 ' CE1' ' A' ' 33' ' ' HIS . 35.7 p-10 -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.739 ' CE1' HD21 ' A' ' 31' ' ' ASN . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 10.8 tm0? -113.79 -19.31 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.17 123.24 83.52 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.355 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.34 121.98 5.45 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.344 2.03 . . . . 0.0 112.053 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.28 -84.66 0.14 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 47' ' ' THR . 67.9 t80 -70.85 154.82 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 29.8 m -78.53 84.22 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.505 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.505 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 3.4 p-10 -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 58' ' ' THR . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.518 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.411 ' C ' HD12 ' A' ' 81' ' ' ILE . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.584 HD11 HD12 ' A' ' 68' ' ' LEU . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.693 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.743 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.501 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 -99.0 86.62 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.0 m-70 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 19' ' ' THR . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 28' ' ' THR . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' O ' ' O ' ' A' ' 303' ' ' HOH . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.41 -19.25 11.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.24 120.97 69.31 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.471 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.71 110.51 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.254 1.969 . . . . 0.0 112.179 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.55 -78.41 0.17 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.92 154.87 41.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.797 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -82.24 87.58 6.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.489 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 1.7 p-10 -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.721 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.495 ' N ' HD12 ' A' ' 57' ' ' ILE . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 95' ' ' ILE . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' THR . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.436 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 68' ' ' LEU . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 102' ' ' THR . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 98' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.648 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.786 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.543 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.431 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 -137.54 85.24 2.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB2' HMC3 ' A' ' 201' ' ' HEC . 44.0 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' O ' ' ND1' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 28' ' ' THR . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 303' ' ' HOH . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -103.67 -19.06 14.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.59 119.61 75.93 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -78.1 -14.23 15.19 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.414 2.076 . . . . 0.0 112.281 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.12 -67.52 0.95 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 47' ' ' THR . 13.2 t80 -98.51 154.98 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.84 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 14.6 m -72.52 85.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.28 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.463 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.4 p-10 -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.579 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 65' ' ' MET . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 81' ' ' ILE . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.627 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.778 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.444 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 -160.34 87.45 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' NZ ' HG11 ' A' ' 11' ' ' VAL . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HD3' HE22 ' A' ' 12' ' ' GLN . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 7' ' ' LYS . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.469 HE22 ' HD3' ' A' ' 8' ' ' LYS . 7.5 pt20 -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.6 m-70 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.81 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.405 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -111.96 -14.64 13.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -69.77 119.38 70.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.57 119.54 4.13 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.346 2.031 . . . . 0.0 111.903 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.35 -84.16 0.14 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -71.06 151.64 44.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.299 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -72.4 81.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' ASP . 2.5 p-10 -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 95' ' ' ILE . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 68' ' ' LEU . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.653 HBC3 HMC1 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.777 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.498 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.436 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 -115.94 84.26 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.51 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 57' ' ' ILE . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -104.22 -19.14 14.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -78.66 122.89 85.39 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.119 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.78 -6.7 16.23 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.25 1.967 . . . . 0.0 112.176 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.71 -70.56 0.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -97.48 154.64 17.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m -71.96 85.62 0.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.467 ' O ' ' OD1' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.467 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.2 p-10 -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.728 HD12 ' C ' ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.517 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD21 HMB2 ' A' ' 201' ' ' HEC . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.488 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.488 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.602 HD12 ' C ' ' A' ' 80' ' ' MET . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.501 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 68' ' ' LEU . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.746 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.769 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 -93.92 83.89 4.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 28' ' ' THR . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.749 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -114.06 -9.06 13.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -73.19 118.38 68.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.355 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.89 117.33 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.404 2.07 . . . . 0.0 112.071 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.08 -75.38 0.21 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.86 153.9 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -76.71 82.48 3.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.785 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.474 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.8 p-10 -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.4 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 57' ' ' ILE . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' O ' ' OE1' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' N ' HD22 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.785 ' O ' HG21 ' A' ' 49' ' ' THR . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.719 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 80' ' ' MET . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 301' ' ' HOH . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 8.1 m-20 -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.629 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.848 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 304' ' ' HOH . . . . . 0.471 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -136.58 84.73 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 179.902 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.464 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.594 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 1.2 tm0? -115.01 -8.73 12.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -75.22 122.24 86.93 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.86 119.12 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.364 2.043 . . . . 0.0 112.014 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.11 -83.1 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -70.99 147.8 48.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.38 81.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.914 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 76' ' ' PRO . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' OD1' ' O ' ' A' ' 51' ' ' ALA . 2.7 p-10 -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' N ' ' OD1' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 58' ' ' THR . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.664 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 49' ' ' THR . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.472 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 95' ' ' ILE . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 201' ' ' HEC . . . . . 0.645 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 301' ' ' HOH . . . . . 0.883 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 303' ' ' HOH . . . . . 0.455 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 . . . . . 0 N--CA 1.461 0.111 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 19' ' ' THR . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.809 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.59 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.446 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.59 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 . . . . . 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.884 0.373 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.403 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 95' ' ' ILE . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.622 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.628 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.622 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 95' ' ' ILE . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.514 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 75.6 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 HD12 ' A' ' 32' ' ' LEU . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 HG12 ' A' ' 20' ' ' VAL . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.609 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.464 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 6.8 tt0 . . . . . 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.85 0.357 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.412 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.43 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.624 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.628 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.628 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.625 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.514 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 85' ' ' ILE . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.414 ' O ' HG23 ' A' ' 102' ' ' THR . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' NZ ' HG22 ' A' ' 95' ' ' ILE . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.737 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.49 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.495 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.658 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' N ' ' OG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 95' ' ' ILE . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.638 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 68' ' ' LEU . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 102' ' ' THR . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 98' ' ' LEU . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.49 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 . . . . . 0 CA--C 1.521 -0.156 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' VAL . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.0 m-70 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 10' ' ' PHE . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 32' ' ' LEU . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.444 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 57' ' ' ILE . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.601 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.775 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.541 HD12 HD11 ' A' ' 95' ' ' ILE . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.715 ' C ' HD12 ' A' ' 81' ' ' ILE . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.541 HD11 HD12 ' A' ' 68' ' ' LEU . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.495 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 64' ' ' LEU . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' HD12 ' A' ' 64' ' ' LEU . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.0 tt0 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.497 ' O ' ' O ' ' A' ' 40' ' ' THR . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' HG22 ' A' ' 40' ' ' THR . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.707 HD11 HD23 ' A' ' 35' ' ' LEU . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.436 HD12 HD11 ' A' ' 95' ' ' ILE . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 95' ' ' ILE . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' THR . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 20' ' ' VAL . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 64' ' ' LEU . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.441 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' A' ' 38' ' ' ARG . 18.2 tt0 . . . . . 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.907 0.385 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 75' ' ' ILE . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.66 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 95' ' ' ILE . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.572 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.404 HG21 ' OD1' ' A' ' 52' ' ' ASN . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 78' ' ' THR . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.572 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.474 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 . . . . . 0 CA--C 1.522 -0.122 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 46.0 m-70 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 57' ' ' ILE . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.9 0.381 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.518 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 77' ' ' GLY . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.569 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.722 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 65' ' ' MET . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD12 HD11 ' A' ' 95' ' ' ILE . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.606 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.606 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' HG21 ' A' ' 49' ' ' THR . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.611 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 68' ' ' LEU . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.545 HD22 ' CE1' ' A' ' 33' ' ' HIS . 40.8 p-10 -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.794 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 64' ' ' LEU . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.571 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.5 tt0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.892 0.377 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.663 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.595 ' N ' HD12 ' A' ' 57' ' ' ILE . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.581 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.794 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.678 HD12 HD11 ' A' ' 95' ' ' ILE . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.678 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.523 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.522 -0.1 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 50.5 m-70 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 28' ' ' THR . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 32' ' ' LEU . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.925 0.393 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.585 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 95' ' ' ILE . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.626 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.616 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 . . . . . 0 CA--C 1.522 -0.129 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.702 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.5 m-70 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 64' ' ' LEU . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.511 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.2 tt0 . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.896 0.379 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.436 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.878 HD11 HD23 ' A' ' 35' ' ' LEU . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 HD12 HD11 ' A' ' 95' ' ' ILE . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.702 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HG21 ' A' ' 85' ' ' ILE . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.627 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 102' ' ' THR . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 3' ' ' VAL . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 44.3 m-70 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 10' ' ' PHE . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.467 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.9 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.949 0.404 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' O ' ' A' ' 77' ' ' GLY . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.71 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 57' ' ' ILE . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.818 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HE2' HD11 ' A' ' 81' ' ' ILE . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.611 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' HG21 ' A' ' 49' ' ' THR . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.67 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 80' ' ' MET . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.59 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.59 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 68' ' ' LEU . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 14.7 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 52.6 m-70 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 32' ' ' LEU . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.593 ' O ' HG22 ' A' ' 28' ' ' THR . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 20' ' ' VAL . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.74 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.41 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.554 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 95' ' ' ILE . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.597 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.659 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.597 ' H ' HD22 ' A' ' 70' ' ' ASN . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.758 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' HG21 ' A' ' 85' ' ' ILE . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.644 ' HA ' HD12 ' A' ' 98' ' ' LEU . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 95' ' ' ILE . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.7 m-70 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.867 0.365 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.608 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.558 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.658 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.647 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.658 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.42 ' C ' HD12 ' A' ' 81' ' ' ILE . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 68' ' ' LEU . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.521 -0.137 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 31' ' ' ASN . 1.7 m-70 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.526 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.443 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.3 tt0 . . . . . 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.965 0.412 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 HG21 ' O ' ' A' ' 77' ' ' GLY . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.613 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.564 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' SD ' ' A' ' 65' ' ' MET . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 95' ' ' ILE . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.624 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.557 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.599 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 68' ' ' LEU . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 20' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.563 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.3 tt0 . . . . . 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.83 0.348 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.447 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.601 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.565 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.576 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.801 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 95' ' ' ILE . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.626 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.636 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.688 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 . . . . . 0 N--CA 1.462 0.126 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' THR . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.522 HD22 ' H ' ' A' ' 33' ' ' HIS . 1.8 p-10 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.752 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 97.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.982 0.42 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 77' ' ' GLY . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.752 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.671 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 49' ' ' THR . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 102' ' ' THR . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 28' ' ' THR . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 64' ' ' LEU . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.543 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.4 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.945 0.402 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.478 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.599 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.735 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HD11 ' A' ' 95' ' ' ILE . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 68' ' ' LEU . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 102' ' ' THR . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.447 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 45.3 m-70 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 19' ' ' THR . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.614 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.614 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 . . . . . 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.823 0.344 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.675 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.667 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 95' ' ' ILE . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.639 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.639 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.732 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 80' ' ' MET . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 68' ' ' LEU . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 102' ' ' THR . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.423 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 . . . . . 0 CA--C 1.521 -0.152 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 19' ' ' THR . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 28' ' ' THR . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 64' ' ' LEU . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 57' ' ' ILE . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.418 ' H ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.957 0.408 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.442 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.734 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 40' ' ' THR . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 35' ' ' LEU . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 95' ' ' ILE . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.669 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 68' ' ' LEU . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 102' ' ' THR . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 . . . . . 0 N--CA 1.461 0.1 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.9 m-70 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.502 HG21 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 32' ' ' LEU . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.728 ' O ' HG22 ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 31' ' ' ASN . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.759 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.528 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.645 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.759 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' HA ' HD23 ' A' ' 68' ' ' LEU . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.523 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.624 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.523 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.6 m-70 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 32' ' ' LEU . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' O ' ' OD1' ' A' ' 31' ' ' ASN . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 HG12 ' A' ' 20' ' ' VAL . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.558 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 17.6 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 47' ' ' THR . 9.4 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.938 0.399 . . . . 0.0 110.454 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.415 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 77' ' ' GLY . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 58' ' ' THR . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.626 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.744 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 68' ' ' LEU . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' O ' HG21 ' A' ' 49' ' ' THR . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.409 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.608 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 95' ' ' ILE . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.807 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' HD12 ' A' ' 64' ' ' LEU . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.442 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.507 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 . . . . . 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.869 0.366 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.424 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 77' ' ' GLY . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' N ' ' A' ' 58' ' ' THR . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.668 ' N ' HD12 ' A' ' 57' ' ' ILE . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CZ2' ' O ' ' A' ' 39' ' ' LYS . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.807 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 95' ' ' ILE . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.602 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 49' ' ' THR . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 78' ' ' THR . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 60.8 m-70 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.488 HG22 ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 19' ' ' THR . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 64' ' ' LEU . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.8 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.878 0.37 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.443 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.462 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.574 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.562 ' N ' HD12 ' A' ' 57' ' ' ILE . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.612 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 68' ' ' LEU . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.632 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.524 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.524 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 4' ' ' GLU . 77.2 m-20 . . . . . 0 CA--C 1.522 -0.108 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.505 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' CG ' ' ND1' ' A' ' 33' ' ' HIS . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.79 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.529 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.9 tt0 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.515 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.577 ' N ' HD12 ' A' ' 57' ' ' ILE . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.613 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.613 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.711 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.595 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 28' ' ' THR . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.789 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.858 0.361 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.405 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.63 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.624 ' N ' HD12 ' A' ' 57' ' ' ILE . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.789 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.482 HD12 HD11 ' A' ' 95' ' ' ILE . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.657 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.595 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 68' ' ' LEU . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.9 m-70 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 10' ' ' PHE . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 28' ' ' THR . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.581 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 1.2 tm0? . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.8 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.647 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.647 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.556 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 58' ' ' THR . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.63 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.584 HD12 HD11 ' A' ' 95' ' ' ILE . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.618 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.518 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.411 ' C ' HD12 ' A' ' 81' ' ' ILE . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.584 HD11 HD12 ' A' ' 68' ' ' LEU . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.0 m-70 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 19' ' ' THR . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 28' ' ' THR . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' HD23 ' A' ' 32' ' ' LEU . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.97 0.414 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.446 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.558 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.721 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.495 ' N ' HD12 ' A' ' 57' ' ' ILE . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.624 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 95' ' ' ILE . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.637 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.637 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' THR . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.436 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 68' ' ' LEU . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 102' ' ' THR . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 98' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.414 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 28' ' ' THR . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.432 ' O ' HD23 ' A' ' 32' ' ' LEU . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.947 0.403 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.481 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.624 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.579 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.611 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 65' ' ' MET . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.555 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.555 ' H ' HD22 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.459 ' NZ ' HG11 ' A' ' 11' ' ' VAL . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 7' ' ' LYS . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.6 m-70 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.81 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.405 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 5.6 tt0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.767 0.317 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.476 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.632 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.81 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 95' ' ' ILE . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.548 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.548 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 68' ' ' LEU . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.501 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.499 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 57' ' ' ILE . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.523 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.9 tt0 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.439 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.619 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.728 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.517 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.591 HD12 HD11 ' A' ' 95' ' ' ILE . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.488 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.488 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.602 HD12 ' C ' ' A' ' 80' ' ' MET . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.501 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 68' ' ' LEU . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.432 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 28' ' ' THR . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.431 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.749 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.7 tt0 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.811 0.338 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.48 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.785 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.621 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.549 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 57' ' ' ILE . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.749 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.463 ' N ' HD22 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.785 ' O ' HG21 ' A' ' 49' ' ' THR . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.719 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 80' ' ' MET . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' HG23 ' A' ' 102' ' ' THR . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 CA--C 1.522 -0.128 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.464 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.444 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.814 0.34 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.502 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 58' ' ' THR . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.664 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.75 HD11 ' CD2' ' A' ' 35' ' ' LEU . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 95' ' ' ILE . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.625 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.625 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 49' ' ' THR . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.472 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 95' ' ' ILE . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.404 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.7 m-20 -128.57 88.38 2.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.889 0.376 . . . . 0.0 110.702 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -50.31 -17.43 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.251 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 2' ' ' ASP . 96.4 mt-10 -74.58 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.748 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -74.13 -17.88 60.87 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.99 -37.89 60.17 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -67.5 -43.03 81.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 0.5 OUTLIER -55.74 -49.05 74.12 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.23 0.538 . . . . 0.0 110.514 179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 72.5 mt -65.86 -24.67 34.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.793 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.471 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -78.5 -52.3 8.71 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.68 -178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.3 m -54.04 -30.38 19.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.188 -178.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -97.73 -22.39 16.46 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 25.6 mmtp -100.94 -67.51 0.85 Allowed 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.477 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.4 m -82.84 -36.09 25.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -176.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.01 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.752 -0.779 . . . . 0.0 110.291 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -48.73 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.265 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.13 48.22 1.69 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 121.096 -0.242 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -154.74 -176.55 5.97 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.909 0.385 . . . . 0.0 110.889 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -139.66 -40.1 0.46 Allowed 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.371 -179.725 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 19' ' ' THR . 8.5 m 41.98 26.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.088 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.496 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 12.7 pt-20 -124.52 114.03 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.013 0.435 . . . . 0.0 110.186 179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -40.35 148.15 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.991 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.01 27.82 5.34 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.0 -140.28 4.39 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 104.32 3.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.79 116.67 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 29' ' ' GLY . 31.0 mtmt -117.86 136.32 53.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.345 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m 41.59 27.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 161.43 159.11 9.83 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -70.59 174.52 10.1 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.653 2.235 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 p30 -96.74 164.57 12.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.872 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -116.3 35.56 4.48 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 121.019 -0.272 . . . . 0.0 110.405 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.8 m170 -65.42 142.53 58.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.11 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.87 30.05 0.03 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.809 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.2 tp -48.11 -57.87 5.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.118 0.485 . . . . 0.0 111.179 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 14.2 m-85 -54.5 92.34 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.55 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.58 -26.53 2.78 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.795 178.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.548 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.1 mtm180 -86.36 152.92 22.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 117.263 0.532 . . . . 0.0 111.477 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.59 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 1.1 ttpm? -78.31 154.46 30.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.331 -179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.446 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.9 p -50.19 143.99 7.72 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.856 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.21 51.2 15.21 Favored Glycine 0 CA--C 1.522 0.528 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.536 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.59 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 -114.12 -19.11 11.49 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.355 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.77 121.66 74.68 Favored Pre-proline 0 CA--C 1.534 0.331 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.475 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.17 110.79 2.8 Favored 'Trans proline' 0 C--N 1.312 -1.381 0 C-N-CA 122.338 2.026 . . . . 0.0 112.059 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.0 -81.47 0.11 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -72.46 152.23 42.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 0.0 110.774 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.5 m -76.85 84.71 3.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.395 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.537 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 12.8 m-85 -57.27 153.52 12.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.932 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.9 p -83.4 152.37 25.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.276 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ASN . 63.3 m-20 -47.27 -43.88 22.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.608 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.57 -40.87 69.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.558 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -80.3 -25.66 39.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.31 -11.05 55.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.3 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.31 -19.41 65.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.19 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.3 mttt 54.03 64.4 1.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.291 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -93.49 -36.74 5.78 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.645 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -142.74 -178.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.774 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.1 m -124.04 140.9 52.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.863 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.8 m0 -62.83 137.5 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.5 mtmt -151.94 -165.26 2.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.474 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -76.48 -58.46 3.27 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.606 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.435 ' OE2' ' SD ' ' A' ' 65' ' ' MET . 59.0 mm-40 -68.89 -40.42 79.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.3 p -56.41 -36.82 69.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.081 0.467 . . . . 0.0 109.834 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.809 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.8 mt -68.04 -35.36 78.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.015 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.435 ' SD ' ' OE2' ' A' ' 62' ' ' GLU . 27.7 mtp -59.17 -56.96 15.46 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.825 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -59.33 -29.99 68.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.153 0.501 . . . . 0.0 109.688 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -77.9 -28.24 49.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.141 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.644 HD12 HD11 ' A' ' 95' ' ' ILE . 13.6 mt -79.9 -21.56 43.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.563 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -93.09 -9.54 39.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.072 0.463 . . . . 0.0 110.3 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.622 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.0 67.92 0.27 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.074 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -48.29 -37.01 31.22 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 123.214 2.609 . . . . 0.0 113.374 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.628 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.99 -47.94 26.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.138 0.422 . . . . 0.0 112.138 -178.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.622 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.1 ttpt -63.83 -28.8 70.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.16 -57.05 8.5 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.792 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 mt -126.58 70.97 72.37 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.059 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.4 Cg_exo -39.61 124.43 1.28 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.914 2.409 . . . . 0.0 112.418 -179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 116.41 -26.09 8.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.8 t -55.36 135.7 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.712 0.292 . . . . 0.0 110.288 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.424 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.2 OUTLIER -83.59 91.58 7.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.673 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.6 ttt -175.84 95.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -126.29 98.09 4.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.202 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -132.37 -72.86 0.52 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.511 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.6 127.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.51 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.98 -179.04 42.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -91.62 160.99 2.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.701 0.286 . . . . 0.0 110.308 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -98.81 -69.91 0.74 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.598 -179.062 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -85.94 163.09 18.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.157 0.503 . . . . 0.0 111.611 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -69.89 -51.66 31.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.43 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 63.2 p -51.77 -26.09 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.476 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -69.06 -38.15 78.91 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' O ' HD12 ' A' ' 95' ' ' ILE . 34.4 mtt85 -75.54 -50.43 15.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.774 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -53.7 55.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 9.2 m-20 -57.64 -53.09 62.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.862 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.8 tp -53.52 -37.01 62.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.203 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -76.84 -27.68 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.438 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.16 -34.0 77.04 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -77.88 -41.74 35.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.854 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 102' ' ' THR . 13.4 mt -59.71 -23.03 62.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.067 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.472 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 44.8 mtmt -80.23 -51.62 8.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.607 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -75.31 -18.13 60.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.512 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.35 -31.91 21.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 98' ' ' LEU . 75.8 p -91.6 -6.02 53.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.133 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.03 -24.76 16.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.297 -179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.552 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.678 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.776 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' GLU . 58.6 m-20 -113.84 87.97 2.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.909 0.385 . . . . 0.0 110.848 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 p -44.97 -20.06 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.232 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASP . 54.7 mm-40 -73.03 -58.77 3.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.847 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -71.3 -20.19 62.23 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.52 68.84 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -68.42 -43.07 77.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.218 -0.491 . . . . 0.0 109.779 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.52 -48.53 81.29 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.067 0.461 . . . . 0.0 110.641 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.9 mt -66.23 -22.62 30.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.005 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.76 -52.57 7.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.733 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.9 m -55.54 -31.15 27.68 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.267 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.99 -25.33 15.98 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.0 ttmt -101.65 -63.64 1.13 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -84.42 -36.31 22.46 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -176.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.19 -26.89 2.11 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.811 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.514 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 75.6 mt-30 -45.97 -61.12 1.88 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.649 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.593 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.53 50.19 1.62 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.677 -179.111 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.593 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.2 m-70 -157.46 -179.69 8.42 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.161 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.06 -37.96 0.79 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.551 -179.624 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.547 HG12 HD12 ' A' ' 32' ' ' LEU . 15.5 m 43.13 34.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.263 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.6 pt-20 -134.38 121.27 20.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.972 0.415 . . . . 0.0 110.412 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -53.54 135.49 40.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.75 28.29 73.7 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.11 -150.06 26.59 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -137.94 113.53 9.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.643 0.259 . . . . 0.0 110.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.32 119.04 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.437 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 29' ' ' GLY . 26.6 mtmm -109.16 120.35 42.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.381 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 28' ' ' THR . 36.4 m 39.47 27.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 172.51 155.14 10.89 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.68 174.72 8.12 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.563 2.175 . . . . 0.0 112.217 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.482 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -93.85 167.01 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.073 179.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 HG12 ' A' ' 20' ' ' VAL . 17.1 mt -120.11 36.38 4.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.293 179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.596 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.9 m170 -63.9 139.85 58.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.247 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.93 27.86 0.02 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -43.69 -57.8 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.211 0.529 . . . . 0.0 110.88 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -55.55 90.51 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.536 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.61 -22.15 2.53 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.019 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.596 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -92.23 153.49 19.25 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.47 0.635 . . . . 0.0 111.901 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.609 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 3.3 tppt? -76.32 150.86 36.84 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.464 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 20.1 p -49.49 145.09 5.08 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.896 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 47.96 51.35 19.17 Favored Glycine 0 CA--C 1.523 0.549 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.691 179.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.609 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 6.8 tt0 -116.05 -19.12 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.316 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.54 124.02 86.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.413 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.63 114.25 3.44 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 122.369 2.046 . . . . 0.0 112.175 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.06 -83.79 0.12 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -71.07 152.06 43.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 110.767 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.1 m -78.69 84.76 4.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.535 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 21.9 m-85 -57.13 150.45 17.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.731 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -81.63 155.25 25.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.552 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.4 m-20 -46.33 -39.82 10.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.68 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.34 -56.36 22.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.616 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -66.32 -27.11 67.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.192 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -84.86 -11.78 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.04 -19.31 65.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.048 179.729 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 55.45 64.48 1.75 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.434 179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.43 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -92.39 -35.23 6.67 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 -179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.45 -178.43 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.733 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.9 m -123.0 140.77 52.68 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.553 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.7 m0 -62.86 137.74 58.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.391 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.553 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.2 mtmt -154.6 -164.42 1.82 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.46 179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -76.38 -58.55 3.22 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 5.8 mp0 -68.48 -39.91 81.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.741 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 80.5 p -57.35 -36.95 71.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.649 -0.421 . . . . 0.0 109.882 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.3 mt -67.93 -33.92 75.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.02 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.0 mtp -59.24 -56.91 16.12 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.739 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -58.64 -30.93 67.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.117 0.484 . . . . 0.0 109.86 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.98 -28.18 49.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.058 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 10.1 mt -79.51 -22.84 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.933 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -93.51 -10.02 36.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.274 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.628 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.29 69.55 0.37 Allowed Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.061 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.07 -35.95 43.49 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 123.202 2.601 . . . . 0.0 113.058 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -48.18 14.89 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.628 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 0.0 OUTLIER -62.96 -31.3 72.37 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.454 -178.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -65.58 -57.22 8.68 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.456 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.16 70.75 78.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.913 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.7 Cg_exo -41.12 150.43 0.15 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.953 2.436 . . . . 0.0 112.299 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.96 -28.02 9.27 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.647 -0.981 . . . . 0.0 110.647 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.9 t -55.3 144.9 23.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.687 0.28 . . . . 0.0 110.377 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 23.2 mmtt -89.45 91.31 8.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.97 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.625 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.8 ttt -177.85 95.63 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.454 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.656 ' N ' HD12 ' A' ' 81' ' ' ILE . 2.0 mp -110.87 98.9 7.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.16 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.514 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 4.2 t80 -143.86 160.39 40.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.86 110.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.755 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.44 174.18 2.95 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -82.9 158.93 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 85' ' ' ILE . 2.6 mppt? -104.61 -67.6 0.9 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -80.61 161.98 24.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.135 0.493 . . . . 0.0 111.422 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -71.15 -49.03 48.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.28 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 41.6 p -54.4 -27.03 33.93 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.514 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.49 -40.26 85.24 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.595 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.5 mtt85 -74.9 -48.79 22.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -58.94 -53.58 56.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.205 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 1.2 m-20 -59.19 -46.4 88.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.991 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.65 -36.45 78.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.17 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.6 mt -76.49 -28.01 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.335 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.03 79.77 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -77.2 -46.12 24.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.959 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.589 HD13 ' O ' ' A' ' 301' ' ' HOH . 21.7 mt -55.58 -23.48 27.3 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' NZ ' HG22 ' A' ' 95' ' ' ILE . 22.6 mtmm -79.12 -49.26 12.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.565 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -76.81 -17.76 58.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.36 -31.61 21.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 98' ' ' LEU . 41.1 p -90.4 -2.77 57.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.16 -24.25 15.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.557 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.64 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.774 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' GLU . 72.6 m-20 -151.64 87.97 1.39 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.838 0.351 . . . . 0.0 110.616 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -47.91 -17.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.381 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASP . 55.7 mm-40 -72.4 -58.73 3.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -71.61 -21.44 61.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.31 -32.03 68.61 Favored Glycine 0 CA--C 1.518 0.247 0 N-CA-C 109.093 -1.603 . . . . 0.0 109.093 178.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -69.88 -44.8 69.04 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.185 -0.508 . . . . 0.0 109.871 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.7 -45.21 90.0 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 110.589 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.8 mt -68.76 -23.03 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.016 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -81.7 -52.28 7.32 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.442 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 30.4 m -55.09 -31.43 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 0.0 111.348 -179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.3 -24.53 16.15 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.533 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.2 tppp? -101.56 -65.08 1.0 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -177.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.546 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.17 -37.48 23.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -26.87 1.61 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.543 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HB2' HMC3 ' A' ' 201' ' ' HEC . 33.3 mt-30 -46.41 -64.0 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.594 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -122.27 50.5 1.46 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 120.663 0.268 . . . . 0.0 111.635 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.8 m-70 -153.69 -176.65 5.92 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.754 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.96 -41.79 0.53 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.655 -179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.6 m 42.49 27.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.585 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -122.49 119.5 31.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.065 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 18.5 tptm -54.98 138.27 44.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.56 26.37 71.89 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.35 -141.01 8.72 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -151.64 111.69 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.855 0.36 . . . . 0.0 110.404 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.3 p80 -54.3 120.46 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.048 0.451 . . . . 0.0 110.578 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.0 pttp -131.15 123.09 27.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.079 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m 48.87 26.95 1.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.098 0.475 . . . . 0.0 109.895 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.88 156.5 10.16 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -74.84 174.82 12.07 Favored 'Trans proline' 0 C--N 1.309 -1.522 0 C-N-CA 122.639 2.226 . . . . 0.0 112.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -101.04 122.75 44.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.386 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.4 mt -79.24 30.61 0.22 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.339 -179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 54.7 m170 -58.89 135.83 57.67 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.45 28.66 0.03 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.737 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.0 tp -42.39 -57.57 2.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.088 0.471 . . . . 0.0 111.046 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -54.54 92.83 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.53 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.09 -26.58 2.71 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.866 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -84.56 154.87 22.37 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.371 0.586 . . . . 0.0 111.539 -178.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 40' ' ' THR . 6.1 tppt? -78.79 154.4 29.96 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.49 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.6 p -55.48 144.48 25.76 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.119 0.485 . . . . 0.0 111.552 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.495 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 49.42 50.77 28.93 Favored Glycine 0 CA--C 1.523 0.578 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.649 179.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -118.64 -12.49 9.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.612 0.244 . . . . 0.0 110.707 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -67.94 118.21 55.98 Favored Pre-proline 0 C--N 1.329 -0.299 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.379 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -79.1 115.48 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.418 0 C-N-CA 122.437 2.092 . . . . 0.0 112.169 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -81.05 0.16 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -70.94 153.6 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 0.0 110.692 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -76.71 83.75 3.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.525 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 13.7 m-85 -59.63 153.14 20.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.7 p -84.15 152.56 24.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.446 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.2 m-20 -48.65 -41.37 31.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.704 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.36 -56.27 16.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.312 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -66.21 -25.9 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -80.98 -16.59 53.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.43 -18.96 65.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.94 -179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 22.6 mttp 59.95 64.2 1.31 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.407 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.404 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -85.87 -42.41 6.78 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.7 pp -146.82 -178.37 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.3 m -119.06 140.76 49.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.789 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.658 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.22 137.56 58.25 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.327 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' N ' ' OG1' ' A' ' 63' ' ' THR . 33.5 mtmm -154.86 -161.79 1.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.565 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -76.52 -58.47 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.666 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -68.98 -43.07 75.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.096 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.4 p -54.14 -36.88 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.955 0.407 . . . . 0.0 109.907 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.737 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -67.84 -37.08 81.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.973 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.5 mtp -57.39 -57.39 12.87 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.78 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.424 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 1.4 mm-40 -58.77 -30.99 67.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.128 0.49 . . . . 0.0 110.029 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -78.24 -26.85 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.739 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.737 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.7 mt -77.86 -22.95 49.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.639 -178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -97.93 -7.94 29.14 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.524 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.638 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.0 p-10 -167.28 65.91 0.8 Allowed Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.461 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.62 -36.76 51.33 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.908 2.406 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.51 -47.77 16.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.841 -179.001 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -64.65 -28.97 69.98 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.476 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.2 t80 -66.29 -57.31 7.79 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.367 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.3 mt -127.45 71.24 76.91 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.7 Cg_exo -40.44 135.69 1.88 Allowed 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 122.876 2.384 . . . . 0.0 112.24 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.473 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 106.39 -27.4 17.03 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.4 t -55.41 143.32 29.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.69 0.281 . . . . 0.0 110.261 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 2.4 tmtp? -90.82 91.36 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.674 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 15.0 ttt -175.82 95.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.415 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.49 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -130.57 94.06 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.428 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -126.04 -71.99 0.67 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.517 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.87 109.6 0.1 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.264 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.36 175.88 6.8 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -85.08 160.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.492 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.4 ttmt -95.35 -68.45 0.8 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.579 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -92.31 163.08 14.02 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 121.117 0.484 . . . . 0.0 111.471 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 91' ' ' ARG . 3.7 ttpm? -66.9 -52.02 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.62 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -49.81 -31.54 11.99 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.35 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -65.51 -34.28 77.91 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 88' ' ' LYS . 9.7 mtt180 -77.16 -48.54 17.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.986 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -57.74 -53.78 54.32 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.105 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -57.73 -51.53 69.18 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.3 tp -55.32 -36.55 66.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.214 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.589 HD11 HD12 ' A' ' 68' ' ' LEU . 38.1 mt -77.05 -28.53 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.918 -179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.83 -36.77 85.0 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 53.2 t80 -76.42 -48.78 18.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.71 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 102' ' ' THR . 19.0 mt -50.16 -25.16 3.3 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -79.38 -45.89 18.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.409 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -75.57 -19.01 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.788 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.98 -33.83 21.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 98' ' ' LEU . 77.1 p -90.13 -3.13 58.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.071 0.462 . . . . 0.0 110.195 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -105.76 -22.74 12.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.087 -179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.435 ' OE2' ' N ' ' A' ' 22' ' ' LYS . 83.6 mt-10 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.77 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.737 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.737 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 4' ' ' GLU . 47.4 m-20 -119.5 88.89 3.02 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.857 0.36 . . . . 0.0 110.681 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 p -49.12 -18.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 42.7 mt-10 -73.87 -58.8 3.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -72.07 -18.85 61.9 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.79 -36.43 66.26 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -68.1 -41.95 81.03 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -50.66 73.06 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.188 0.518 . . . . 0.0 110.622 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 77.2 mt -64.61 -23.97 34.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.958 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.487 ' CE1' HG21 ' A' ' 20' ' ' VAL . 5.6 t80 -78.65 -52.44 8.43 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.741 -179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.8 m -55.89 -29.27 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 111.356 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -95.92 -25.53 15.94 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 42.0 mttt -101.01 -64.89 1.01 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -83.6 -35.62 24.54 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -176.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.57 2.15 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.918 -0.713 . . . . 0.0 110.591 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -48.23 -55.88 9.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -130.33 53.13 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.329 -179.46 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.0 m-70 -158.17 -176.09 5.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.066 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.437 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -139.91 -41.54 0.44 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.323 -179.568 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CE1' ' A' ' 10' ' ' PHE . 19.0 m 41.35 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.694 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -132.97 116.65 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.979 0.418 . . . . 0.0 110.427 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 148.73 3.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.793 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.92 23.96 40.23 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.58 -141.57 10.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.6 116.37 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.448 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.15 119.72 5.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.645 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -113.81 114.79 26.78 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.363 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m 42.73 27.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.983 0.42 . . . . 0.0 110.386 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -178.69 159.03 23.88 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.43 161.21 43.03 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.612 2.208 . . . . 0.0 112.295 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 304' ' ' HOH . 10.4 p30 -90.9 118.93 30.69 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.973 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD23 ' N ' ' A' ' 32' ' ' LEU . 5.7 mt -76.97 31.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.502 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.58 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 57.2 m170 -59.48 138.61 57.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.77 29.32 0.02 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -44.49 -57.64 3.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.531 . . . . 0.0 111.078 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.4 m-85 -53.03 93.69 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.673 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.5 -27.69 2.71 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.856 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.5 mtm180 -87.7 152.33 22.23 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.337 0.569 . . . . 0.0 111.598 -178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.601 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 6.5 mmtm -73.21 166.28 23.44 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.77 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.0 p -64.08 144.21 57.28 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.108 0.48 . . . . 0.0 111.616 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.43 50.61 10.18 Favored Glycine 0 CA--C 1.523 0.562 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.344 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -115.63 -19.11 10.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.704 0.288 . . . . 0.0 110.914 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.12 123.92 82.03 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.408 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -79.09 111.41 2.91 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.335 2.023 . . . . 0.0 112.231 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.33 -79.17 0.16 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -70.91 155.11 41.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.801 0.334 . . . . 0.0 110.947 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.8 m -80.94 87.67 5.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.544 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.494 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 22.1 m-85 -66.56 150.48 48.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.769 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.1 p -83.52 157.55 22.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.206 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.02 -37.4 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.556 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.616 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.93 -41.92 92.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -81.01 -25.22 37.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 0.0 110.194 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -85.66 -9.45 57.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.616 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.98 -18.73 65.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.124 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 30.2 mttm 57.57 64.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.524 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.44 -40.97 7.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.699 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -144.72 175.4 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.721 0.296 . . . . 0.0 110.658 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.573 ' N ' HD12 ' A' ' 57' ' ' ILE . 98.0 m -111.9 140.81 46.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.244 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -63.83 134.86 55.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -154.89 -164.59 1.83 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.471 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 65' ' ' MET . 28.6 tt0 -72.75 -58.52 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.447 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 65' ' ' MET . 32.9 mt-10 -67.13 -50.44 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 55.7 p -45.31 -39.58 6.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.112 0.482 . . . . 0.0 109.856 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.782 HD13 ' O ' ' A' ' 301' ' ' HOH . 4.1 mt -69.3 -33.95 73.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.239 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 62' ' ' GLU . 28.3 mtp -62.13 -57.08 12.87 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.039 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.42 -31.14 70.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.202 0.525 . . . . 0.0 109.687 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -77.98 -27.19 49.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.338 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD21 HMB2 ' A' ' 201' ' ' HEC . 13.1 mt -78.72 -23.59 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.493 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.415 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 12.5 tt0 -90.25 -13.65 34.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.051 0.453 . . . . 0.0 109.84 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.4 p-10 -168.16 65.86 0.7 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.436 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -47.5 -37.08 25.49 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.025 2.484 . . . . 0.0 112.81 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -79.23 -47.76 15.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.899 -178.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -65.63 -16.16 63.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.362 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -77.92 -57.01 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.0 mt -127.54 73.58 78.02 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.117 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -43.4 127.98 5.9 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.816 2.344 . . . . 0.0 112.365 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -33.4 4.94 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -55.59 138.95 45.85 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.481 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 28.9 mtmt -84.67 91.54 7.95 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.199 -179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.715 ' C ' HD12 ' A' ' 81' ' ' ILE . 15.0 ttt -169.26 95.75 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 110.597 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.715 HD12 ' C ' ' A' ' 80' ' ' MET . 3.0 mp -125.52 108.59 19.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.121 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 77.6 t80 -147.96 -82.92 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.594 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -164.76 125.35 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.717 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -78.92 172.7 55.32 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -83.41 159.14 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 29.5 tttp -102.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.643 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -86.53 162.77 17.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 0.0 111.505 -178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -70.96 -54.0 12.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.156 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.4 p -51.53 -25.42 6.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.407 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -68.97 -38.0 79.11 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.0 mtm180 -75.66 -50.29 15.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.86 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -57.63 -53.47 57.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.134 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.59 -47.31 84.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.018 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.58 -36.19 75.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.015 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.541 HD11 HD12 ' A' ' 68' ' ' LEU . 11.4 mt -76.63 -27.83 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.434 -179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.84 -35.35 80.84 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -77.3 -43.86 31.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.762 -0.653 . . . . 0.0 109.919 179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 102' ' ' THR . 20.0 mt -57.15 -22.93 43.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.917 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -80.18 -51.06 9.41 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.677 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -77.15 -15.5 59.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.943 0.401 . . . . 0.0 110.55 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.69 -32.4 20.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.502 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 98' ' ' LEU . 43.6 p -90.47 -4.17 57.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.226 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.23 -24.96 17.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.096 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.519 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.671 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.782 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.477 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.488 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER -132.42 88.93 2.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.657 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.7 p -49.62 -17.28 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.357 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 40.2 mt-10 -72.34 -58.78 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.453 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -73.31 -18.57 61.18 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.73 -36.73 75.64 Favored Glycine 0 CA--C 1.519 0.293 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -42.88 73.92 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.11 -48.87 77.57 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.114 0.483 . . . . 0.0 110.707 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 69.3 mt -65.59 -25.76 37.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.783 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.495 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -77.26 -52.48 9.13 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.702 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.466 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.83 -29.58 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 111.151 -178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.39 -25.96 15.52 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 40.2 mttt -101.29 -64.19 1.07 Allowed 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.525 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -83.83 -34.93 24.56 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.89 2.03 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.662 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -47.24 -64.52 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.725 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.611 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.66 47.13 1.77 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.76 -178.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.611 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.5 m-70 -155.26 -174.29 4.91 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.149 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.23 -37.65 0.43 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.395 -179.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.502 ' O ' ' O ' ' A' ' 101' ' ' ALA . 14.8 m 42.04 29.62 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.527 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.0 pt-20 -126.85 112.78 15.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.094 0.473 . . . . 0.0 110.521 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -51.54 124.82 13.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.442 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.58 25.82 48.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.15 -143.04 14.11 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 30.3 pttt -151.72 124.08 8.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.51 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.52 119.72 5.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -112.27 96.49 6.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.65 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 28' ' ' THR . 30.6 m 59.4 27.45 16.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.02 0.438 . . . . 0.0 109.941 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.01 154.2 9.84 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.88 169.82 15.47 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.761 2.307 . . . . 0.0 112.322 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 18.1 p30 -99.07 132.5 44.34 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.558 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.1 mt -80.33 32.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 61.4 m170 -59.25 137.34 58.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.422 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 38.87 28.86 0.07 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD23 HD11 ' A' ' 64' ' ' LEU . 8.8 tp -46.36 -57.37 4.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.739 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.591 ' CE2' HD12 ' A' ' 64' ' ' LEU . 38.9 m-85 -52.89 87.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.57 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 140.25 -25.28 2.64 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.921 ' NH2' ' HB2' ' A' ' 43' ' ' ALA . 0.9 OUTLIER -75.45 153.36 37.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.935 0.398 . . . . 0.0 110.796 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.6 OUTLIER -88.73 138.81 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.596 179.164 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.497 ' O ' ' O ' ' A' ' 52' ' ' ASN . 21.7 p -38.94 128.77 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.779 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.36 50.37 68.46 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.0 tt0 -118.68 -18.79 8.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.575 0.226 . . . . 0.0 110.949 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.921 ' HB2' ' NH2' ' A' ' 38' ' ' ARG . . . -58.84 122.47 62.19 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -79.17 109.2 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.355 2.037 . . . . 0.0 112.166 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.11 -81.33 0.13 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.1 t80 -70.96 152.12 43.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.655 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.483 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 90.2 m -80.29 84.38 5.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.71 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.55 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 38.1 m-85 -59.79 151.93 24.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.428 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -77.33 165.32 24.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.98 -40.3 88.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.636 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.53 -39.7 84.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.546 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.4 m-20 -81.37 -26.8 35.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 1.6 ttmm -84.4 -9.75 58.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.636 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.88 -18.97 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.037 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 33.1 mtpt 56.36 64.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.505 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.95 -45.82 8.11 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.752 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -145.46 165.42 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.913 0.387 . . . . 0.0 110.58 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 53.8 m -97.19 138.25 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' HG22 ' A' ' 40' ' ' THR . 78.2 m95 -62.54 141.31 58.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.313 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.544 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.6 mtmt -156.43 -164.49 1.68 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.459 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 42.3 tt0 -73.17 -57.84 3.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.413 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 65' ' ' MET . 1.4 mp0 -67.57 -49.87 61.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.0 p -46.78 -38.07 9.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.054 0.454 . . . . 0.0 109.966 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 301' ' ' HOH . 3.8 mt -69.02 -36.15 77.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.049 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 22.4 mtp -58.65 -56.73 18.46 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.53 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.55 -28.67 65.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.097 0.475 . . . . 0.0 109.797 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -77.17 -30.33 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.303 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.599 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.3 mt -79.21 -22.26 45.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.857 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.516 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 3.8 tt0 -89.81 -14.37 34.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.055 0.455 . . . . 0.0 110.167 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.546 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 5.2 p-10 -172.19 69.11 0.43 Allowed Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.737 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -58.13 -26.45 75.92 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.329 2.02 . . . . 0.0 112.543 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.26 -46.95 11.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.098 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.6 ttpp -70.28 -11.15 60.7 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.239 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -83.22 -56.93 3.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.446 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.6 mt -127.55 72.84 78.05 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.253 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.471 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 73.6 Cg_exo -44.66 137.47 8.7 Favored 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 122.867 2.378 . . . . 0.0 112.109 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.07 -30.01 9.92 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.4 t -55.5 141.96 34.87 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -88.37 90.7 8.5 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 12.7 ttt -176.29 95.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.131 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -130.68 92.55 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -125.9 -81.71 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.256 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -166.92 110.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.516 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -59.77 -142.43 0.01 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.64 -0.984 . . . . 0.0 110.64 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 6.8 mt -140.46 158.75 24.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 17.4 mtmm -108.32 -50.27 3.06 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' CG ' ' OE2' ' A' ' 90' ' ' GLU . 66.5 mmtt -86.55 158.63 19.48 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.543 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -71.29 -55.43 8.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.058 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.0 p -50.04 -26.56 4.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.43 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' OE2' ' CG ' ' A' ' 87' ' ' LYS . 28.5 mt-10 -65.62 -42.5 91.47 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.516 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 6.5 mtt180 -77.22 -49.85 14.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.154 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -55.69 -53.25 58.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.571 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -60.08 -52.15 66.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 109.907 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.2 tp -54.38 -36.43 63.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.206 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.1 mt -77.14 -30.99 18.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.719 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.9 -35.31 80.72 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -74.23 -36.72 63.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.406 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 95' ' ' ILE . 20.3 mt -58.69 -46.57 86.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.99 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.3 mtmt -58.76 -55.89 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.262 -179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -70.01 -24.22 63.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.163 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.502 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.08 -24.58 26.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.715 0.293 . . . . 0.0 110.865 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.622 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.2 p -91.2 2.3 56.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.126 0.489 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.4 -22.75 12.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.075 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.477 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.599 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.882 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.472 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' C ' ' N ' ' A' ' 4' ' ' GLU . 27.6 m-20 -152.68 88.46 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.7 p -47.54 -19.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.166 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 2' ' ' ASP . 45.4 mt-10 -72.02 -58.74 3.19 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.595 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mtmt -71.87 -19.32 61.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.03 -35.72 71.88 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 178.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -70.02 -42.98 72.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.366 -0.417 . . . . 0.0 109.911 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 1.1 tmmt? -58.68 -50.39 74.05 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.217 0.532 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 82.5 mt -65.06 -25.76 38.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.786 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -76.89 -52.12 10.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.88 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.2 m -53.9 -30.36 19.39 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.238 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.991 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.505 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -96.5 -21.81 17.49 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.741 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 1.1 mmmt -101.18 -66.01 0.94 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.484 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.7 m -86.52 -36.21 19.1 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.43 -27.03 1.52 Allowed 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 119.833 -0.747 . . . . 0.0 110.802 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -48.9 -64.04 0.92 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.488 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.78 47.48 1.72 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.649 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 -152.7 -176.42 5.72 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.94 -38.45 0.46 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.451 -179.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 19' ' ' THR . 14.7 m 42.7 32.17 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.854 179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -128.8 119.61 24.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -49.08 148.34 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.026 -179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.67 30.13 8.43 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.98 -140.29 6.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -151.66 104.38 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 p-80 -54.47 132.76 45.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.924 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -140.03 131.02 26.2 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.942 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 48.31 27.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.03 0.443 . . . . 0.0 109.948 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 157.6 156.36 7.91 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.15 178.43 5.44 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.563 2.175 . . . . 0.0 112.103 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.635 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 8.6 t-20 -100.79 165.82 11.17 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 HG12 ' A' ' 20' ' ' VAL . 19.1 mt -113.29 42.59 1.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.561 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 63.6 m170 -65.17 134.13 53.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.661 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.44 29.85 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.451 -1.06 . . . . 0.0 110.451 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.78 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -41.59 -57.49 2.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.137 0.494 . . . . 0.0 111.066 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' CE2' HD12 ' A' ' 64' ' ' LEU . 24.4 m-85 -55.85 91.62 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.594 -178.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.58 -26.16 2.93 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.788 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' NH1' ' O ' ' A' ' 33' ' ' HIS . 4.7 mtt85 -87.18 144.4 26.85 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.194 0.497 . . . . 0.0 111.592 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 3.8 mmtm -65.86 166.84 10.47 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.046 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.441 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 2.8 p -63.0 147.84 49.45 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.458 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.77 51.75 22.69 Favored Glycine 0 CA--C 1.524 0.636 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.505 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.496 HE21 ' CG ' ' A' ' 38' ' ' ARG . 18.2 tt0 -116.72 -18.98 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.858 -179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -62.33 120.27 57.17 Favored Pre-proline 0 CA--C 1.535 0.372 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.603 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.94 115.22 3.75 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.271 1.981 . . . . 0.0 112.173 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.51 -69.42 0.27 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -83.93 154.24 23.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.1 m -82.44 87.58 6.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.224 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.473 ' CG ' ' HA2' ' A' ' 41' ' ' GLY . 18.1 m-85 -57.14 151.27 15.72 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.932 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -81.41 151.65 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.278 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -44.84 -35.3 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.778 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -42.89 99.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.65 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 75' ' ' ILE . 11.0 m-20 -79.8 -24.89 41.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.044 0.449 . . . . 0.0 110.18 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 2.7 tttm -85.92 -7.84 58.41 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -69.06 -19.23 64.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.391 179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 2.6 mppt? 55.29 64.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.032 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.14 -32.82 7.24 Favored Glycine 0 CA--C 1.527 0.801 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.739 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.561 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -147.51 -178.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.757 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.561 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.8 m -124.03 140.82 52.6 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.662 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 2.4 m0 -64.27 138.99 58.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.245 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.7 mtmt -156.04 -164.06 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.53 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -76.45 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.824 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -69.59 -38.01 77.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.856 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 63.1 p -59.47 -35.9 74.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.001 0.429 . . . . 0.0 109.872 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.78 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.4 mt -67.74 -37.33 82.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.98 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.3 mtp -56.16 -56.7 17.75 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.646 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.75 -30.99 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.134 0.492 . . . . 0.0 109.859 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -77.8 -26.66 49.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.016 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.621 HD12 HD11 ' A' ' 95' ' ' ILE . 13.9 mt -80.68 -23.18 39.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.489 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -92.1 -8.01 47.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.196 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -178.05 73.97 0.22 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.731 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.51 -33.0 36.82 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.113 2.542 . . . . 0.0 112.919 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.572 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.6 tppt? -81.62 -47.93 12.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.823 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -57.59 -33.73 68.5 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.307 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -67.56 -57.01 7.21 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.781 -0.367 . . . . 0.0 110.582 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.404 HG21 ' OD1' ' A' ' 52' ' ' ASN . 43.8 mt -126.7 68.84 70.2 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.059 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.425 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.7 Cg_exo -40.9 129.41 2.84 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.903 2.402 . . . . 0.0 112.404 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.84 -28.9 8.13 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 78' ' ' THR . 14.7 t -55.31 131.85 46.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.223 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 15.1 tptm -77.38 91.27 3.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.851 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.4 ttt -176.9 96.23 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.572 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.0 82.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -112.44 -72.86 0.69 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.74 114.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.47 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.05 175.86 18.1 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.46 159.62 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 85' ' ' ILE . 42.7 tttt -100.13 -70.4 0.74 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -82.88 162.89 21.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.423 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 91' ' ' ARG . 11.5 ttpt -69.46 -54.16 15.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.629 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -49.71 -27.95 5.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.363 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -67.85 -36.65 80.7 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 95' ' ' ILE . 55.9 mtm-85 -76.97 -50.32 13.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.047 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -57.72 -53.56 56.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.101 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -58.07 -47.37 83.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.024 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -59.55 -36.56 76.39 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.212 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.621 HD11 HD12 ' A' ' 68' ' ' LEU . 7.0 mt -77.02 -27.17 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.525 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.55 81.28 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -78.43 -41.46 32.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.961 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 102' ' ' THR . 23.2 mt -58.98 -25.65 63.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.039 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.474 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 45.2 mtmt -77.62 -54.15 6.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -72.67 -17.42 61.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.603 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.41 -29.29 22.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.524 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 98' ' ' LEU . 37.3 p -94.25 1.52 55.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 1.0 OUTLIER -99.39 -21.9 15.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.128 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.541 179.736 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.665 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.764 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.455 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' GLU . 70.1 m-20 -144.85 85.4 1.76 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.898 0.38 . . . . 0.0 110.787 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -46.61 -18.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.322 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASP . 8.1 mp0 -72.96 -58.62 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.679 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.5 mtmt -71.71 -19.97 61.98 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.21 -34.57 64.28 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -68.53 -43.33 76.93 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.178 -0.511 . . . . 0.0 109.959 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -46.55 88.27 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.08 0.467 . . . . 0.0 110.581 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 73.0 mt -67.79 -22.46 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.042 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.4 t80 -81.52 -52.3 7.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.422 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.7 m -55.45 -31.33 27.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.791 0.329 . . . . 0.0 111.376 -178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.57 -25.08 16.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.7 ttmt -101.74 -64.1 1.09 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.86 -36.48 23.39 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.5 -26.9 1.54 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.995 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' CZ ' ' A' ' 82' ' ' PHE . 28.2 mt-30 -47.47 -62.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.4 -179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.84 49.71 1.52 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 121.048 -0.261 . . . . 0.0 111.504 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 46.0 m-70 -155.08 -176.54 5.99 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.579 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -141.52 -41.13 0.37 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.209 -179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 19' ' ' THR . 6.4 m 44.0 19.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.905 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 2.6 pt-20 -106.53 116.3 31.69 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.016 0.436 . . . . 0.0 110.263 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -50.35 125.76 13.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.292 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.12 26.59 72.48 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.906 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.83 -131.27 3.08 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -151.59 113.69 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.347 . . . . 0.0 110.475 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.11 137.05 58.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.65 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -141.03 129.69 22.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.264 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.9 m 45.95 27.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.003 0.43 . . . . 0.0 110.286 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.03 157.78 9.14 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.35 166.69 29.25 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.645 2.23 . . . . 0.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.481 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.2 p30 -86.78 162.43 17.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.026 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.4 mt -116.64 38.38 3.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.701 0.286 . . . . 0.0 110.499 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.578 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 44.8 m170 -66.46 143.45 57.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.308 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.1 29.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.5 tp -45.81 -57.8 4.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.52 . . . . 0.0 111.163 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 64' ' ' LEU . 18.9 m-85 -56.34 91.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.493 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.31 -29.23 2.3 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.716 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.0 mtm180 -87.19 146.6 25.94 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 117.24 0.52 . . . . 0.0 111.404 -179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.52 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 8.0 mmtp -68.61 169.29 11.34 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.661 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 57' ' ' ILE . 10.4 p -65.66 145.76 55.64 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.973 0.416 . . . . 0.0 111.225 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 49.81 51.05 30.21 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -102.62 -19.38 14.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.562 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.6 120.9 79.09 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.177 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.88 -13.88 15.73 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 122.368 2.046 . . . . 0.0 112.293 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.2 -78.94 0.06 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -86.97 155.18 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.823 0.344 . . . . 0.0 110.971 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.2 m -71.33 84.5 0.79 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.45 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 21.2 m-85 -58.17 154.49 12.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.985 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 HG21 ' O ' ' A' ' 77' ' ' GLY . 76.9 p -78.19 171.09 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.251 179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.65 -36.13 75.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -61.71 -37.28 83.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -81.0 -28.09 35.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 110.091 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -83.58 -13.5 54.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.442 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.37 -19.0 65.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.363 179.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.569 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 12.2 mtpt 60.95 64.12 1.18 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.564 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.9 -45.57 5.95 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.722 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -143.2 171.22 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.516 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.4 m -109.39 140.8 42.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.304 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.0 m0 -62.8 135.18 57.21 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.842 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.1 mtmt -153.92 -161.83 1.32 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 65' ' ' MET . 38.3 tt0 -76.34 -58.56 3.21 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.521 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -67.8 -46.01 73.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 70.3 p -50.48 -38.38 43.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 0.0 109.972 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.789 HD13 ' O ' ' A' ' 301' ' ' HOH . 3.6 mt -69.18 -33.35 73.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.159 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 22.6 mtp -62.02 -57.17 12.67 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.235 -179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -61.33 -29.77 70.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.198 0.523 . . . . 0.0 109.705 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -78.25 -26.61 47.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.086 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.622 HD21 HMB2 ' A' ' 201' ' ' HEC . 12.0 mt -80.07 -15.26 57.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.188 -179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.471 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.0 pt-20 -101.74 -9.06 21.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.016 0.436 . . . . 0.0 110.322 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.606 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.66 64.34 0.38 Allowed Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -46.8 -36.71 20.14 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.252 2.635 . . . . 0.0 113.164 -179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.36 -47.68 26.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.606 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 35.6 ttpt -63.9 -31.82 73.13 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -64.64 -57.56 8.72 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.689 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.5 mt -129.94 71.02 82.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.109 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 92.8 Cg_exo -39.67 159.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.669 2.246 . . . . 0.0 111.98 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.427 ' O ' HG21 ' A' ' 49' ' ' THR . . . 84.94 -28.96 4.34 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.1 t -55.35 144.41 25.26 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -92.21 91.42 7.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.064 0.459 . . . . 0.0 111.072 -179.548 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.9 ttt -176.47 95.52 0.05 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.196 179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' N ' HD12 ' A' ' 81' ' ' ILE . 2.2 mp -112.67 103.75 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.08 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.416 ' CZ ' ' OE1' ' A' ' 16' ' ' GLN . 13.0 t80 -147.94 170.05 18.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.406 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -66.74 110.86 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.744 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.39 178.42 3.05 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.611 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.6 mm -86.4 158.59 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.302 . . . . 0.0 110.306 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' ILE . 44.7 mttm -99.24 -71.38 0.7 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.421 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -83.36 162.7 20.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.21 0.528 . . . . 0.0 111.533 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -69.91 -49.66 49.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.0 p -52.96 -27.48 19.17 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.496 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.94 -38.95 87.1 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.1 mtt180 -74.85 -49.88 18.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.733 . . . . 0.0 109.934 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -56.7 -53.67 55.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.232 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -58.06 -49.07 78.18 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 tp -57.98 -35.6 71.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.294 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 68' ' ' LEU . 8.4 mt -76.81 -28.78 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.481 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.19 -34.65 78.58 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -77.03 -47.45 20.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.777 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.6 mt -53.8 -23.48 12.25 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.104 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -80.33 -50.91 9.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.799 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -74.14 -18.93 60.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.62 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.25 -31.97 21.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.642 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 98' ' ' LEU . 66.5 p -90.69 -4.95 56.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.061 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.74 -24.5 16.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.371 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.585 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.686 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.789 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.445 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.411 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' CA ' ' OE2' ' A' ' 92' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 80.0 m-20 -109.85 82.79 1.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.84 0.352 . . . . 0.0 110.736 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.94 -17.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.324 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 79.8 mt-10 -73.73 -58.39 3.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.621 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -72.21 -20.42 61.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.72 -32.21 61.72 Favored Glycine 0 CA--C 1.518 0.281 0 N-CA-C 108.96 -1.656 . . . . 0.0 108.96 178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -69.72 -42.99 73.26 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.039 -0.58 . . . . 0.0 109.801 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -46.38 89.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.092 0.472 . . . . 0.0 110.418 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 61.8 mt -67.16 -23.16 30.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -81.56 -52.44 7.21 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.585 -179.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.17 -31.5 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.435 -178.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.4 -25.24 15.78 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 15.4 ttmt -101.53 -64.11 1.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.8 m -83.04 -37.95 23.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 -176.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -26.86 1.96 Allowed 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.341 -0.543 . . . . 0.0 110.734 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -46.5 -60.74 2.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.626 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.571 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.22 51.25 1.47 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.57 -179.035 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.571 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 13.1 m-70 -158.34 -179.24 7.92 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.295 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -135.04 -38.24 0.78 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.466 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.1 m 41.45 25.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.421 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.522 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.6 pt-20 -124.34 120.93 33.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.88 0.372 . . . . 0.0 110.441 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' H ' ' CD ' ' A' ' 104' ' ' GLU . 7.6 tmtm? -60.49 136.26 58.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.594 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 23.14 76.6 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.56 -141.91 12.63 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.7 pttt -151.71 117.13 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 0.0 110.438 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -54.32 125.01 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 29' ' ' GLY . 13.9 ptpt -125.25 128.98 49.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.365 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m 41.94 27.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.136 0.493 . . . . 0.0 110.132 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.42 156.84 9.13 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.426 -1.07 . . . . 0.0 110.426 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.56 -179.33 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.594 2.196 . . . . 0.0 112.171 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.545 HD22 ' CE1' ' A' ' 33' ' ' HIS . 40.8 p-10 -99.68 162.42 13.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.771 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -115.57 33.57 5.4 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.032 -0.267 . . . . 0.0 110.433 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.576 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 58.3 m170 -60.09 139.86 57.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.288 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.36 32.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.66 -0.976 . . . . 0.0 110.66 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.794 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.7 tp -46.34 -57.84 4.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.106 0.479 . . . . 0.0 111.231 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 64' ' ' LEU . 26.6 m-85 -53.83 91.76 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.602 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.91 -26.57 2.61 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.95 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.576 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -87.68 156.24 19.55 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.256 0.528 . . . . 0.0 111.568 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mmtp -78.0 164.73 24.81 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 12.0 p -61.3 144.57 53.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.292 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.16 50.72 9.26 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.571 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.5 tt0 -112.37 -19.1 12.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.609 0.243 . . . . 0.0 110.971 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.22 121.21 68.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.24 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.74 112.85 3.2 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.421 2.081 . . . . 0.0 112.132 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.14 -82.23 0.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -71.68 154.83 41.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.833 0.349 . . . . 0.0 110.734 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -79.95 84.93 5.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.59 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.515 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.0 m-85 -60.4 154.51 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.733 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.8 p -80.74 155.11 26.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.455 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 19.1 t70 -52.54 -45.57 66.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.625 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.75 -40.63 63.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.22 -25.23 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -84.69 -11.38 55.99 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.625 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.09 -18.84 65.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.343 179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 81.6 mttt 56.13 64.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.303 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.7 -36.85 7.15 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.683 -0.567 . . . . 0.0 111.683 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.663 ' C ' HD12 ' A' ' 57' ' ' ILE . 1.9 pp -143.61 173.53 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.595 ' N ' HD12 ' A' ' 57' ' ' ILE . 94.4 m -114.04 140.76 48.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.769 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -65.93 137.42 57.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.576 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.84 -164.5 1.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 99' ' ' LYS . 37.7 tt0 -75.16 -58.46 3.27 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.538 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -68.63 -41.88 78.84 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.576 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.1 p -54.54 -37.56 65.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.071 0.463 . . . . 0.0 110.104 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.794 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.8 mt -70.11 -33.67 72.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.126 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 29.4 mtp -61.76 -57.56 11.41 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.682 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.48 ' CD ' ' CZ ' ' A' ' 74' ' ' TYR . 16.7 pt-20 -62.11 -30.44 71.02 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 71' ' ' PRO . 15.7 t80 -78.66 -25.01 44.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.285 -0.87 . . . . 0.0 110.798 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.678 HD12 HD11 ' A' ' 95' ' ' ILE . 5.9 mt -78.58 -16.53 57.31 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.262 -179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CD ' ' NH1' ' A' ' 91' ' ' ARG . 18.4 pt-20 -100.0 -11.49 20.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.641 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -168.83 70.38 0.74 Allowed Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 121.295 0.569 . . . . 0.0 110.028 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 67' ' ' TYR . 32.3 Cg_exo -55.37 -33.48 85.62 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 123.326 2.684 . . . . 0.0 113.369 -179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.638 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.8 tppp? -79.97 -48.03 14.02 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.738 -178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.562 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 45.9 tttt -58.8 -35.19 72.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.854 -0.338 . . . . 0.0 111.558 -178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.48 ' CZ ' ' CD ' ' A' ' 66' ' ' GLU . 2.3 t80 -68.22 -55.36 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.07 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -124.69 69.14 54.56 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.504 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.8 Cg_exo -43.02 128.28 5.31 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.606 2.204 . . . . 0.0 111.999 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.69 -30.61 6.08 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.42 134.75 50.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 28.4 ttpt -82.43 91.45 6.85 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.176 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.705 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -172.28 95.62 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.846 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.705 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -124.38 115.6 45.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.049 179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD2' ' N ' ' A' ' 83' ' ' ALA . 85.2 t80 -152.26 -79.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' N ' ' CD2' ' A' ' 82' ' ' PHE . . . -172.14 110.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.496 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.01 172.62 10.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.493 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -82.8 160.18 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 3.5 ttmp? -101.99 -70.01 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.513 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.8 mtpt -81.03 162.26 23.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.091 0.472 . . . . 0.0 111.378 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -71.15 -51.46 24.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.341 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 49.7 p -52.31 -27.15 14.14 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -66.69 -39.13 87.97 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.569 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.7 mtm180 -74.72 -51.25 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.004 178.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' OE2' ' CA ' ' A' ' 1' ' ' GLY . 0.2 OUTLIER -55.72 -53.7 53.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.273 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -58.54 -49.61 76.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.962 0.41 . . . . 0.0 109.9 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.91 -35.67 69.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.356 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.678 HD11 HD12 ' A' ' 68' ' ' LEU . 5.4 mt -76.92 -27.98 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.503 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 57.0 t80 -76.89 -46.82 23.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.005 179.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.51 ' O ' HG23 ' A' ' 102' ' ' THR . 14.1 mt -53.7 -22.98 10.15 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' A' ' 61' ' ' GLU . 43.4 mtmt -80.44 -52.29 7.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.719 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -73.02 -19.03 61.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.426 ' O ' ' OE2' ' A' ' 104' ' ' GLU . . . -86.41 -32.79 20.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.535 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 98' ' ' LEU . 72.6 p -90.93 -9.1 47.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.146 0.498 . . . . 0.0 109.973 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.523 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.0 -24.02 15.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.991 179.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 103' ' ' ASN . 32.8 mp0 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.955 -1.021 . . . . 0.0 111.171 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.637 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.743 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.429 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.639 -1.385 . . . . 0.0 109.639 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -130.3 88.51 2.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.649 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -49.52 -17.4 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.352 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 2' ' ' ASP . 28.0 mt-10 -73.27 -58.82 3.04 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.538 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.8 mtmt -74.74 -17.31 60.67 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.18 -37.13 63.69 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -69.24 -42.36 75.75 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -57.48 -49.19 77.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.226 0.536 . . . . 0.0 110.427 179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 68.2 mt -64.71 -25.83 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.1 t80 -77.31 -52.33 9.37 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.783 -178.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.07 -29.11 21.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.188 -178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -96.48 -26.03 15.44 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.8 mttt -101.21 -64.72 1.02 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.501 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -81.96 -36.14 28.27 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.6 -27.1 1.7 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.374 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -47.98 -61.53 1.92 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.12 50.31 1.67 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.535 -179.302 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.434 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 50.5 m-70 -155.88 -174.91 5.16 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.792 179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.566 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.34 -41.86 0.33 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.36 -179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 19' ' ' THR . 9.8 m 43.68 27.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.383 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 4.1 pt-20 -120.29 106.52 11.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 110.446 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -51.45 114.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.61 17.03 37.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.94 -141.51 10.73 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.22 122.95 9.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 0.0 110.575 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.44 123.1 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.999 0.428 . . . . 0.0 110.81 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -116.09 95.83 5.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.956 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 28' ' ' THR . 17.6 m 58.93 27.4 16.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.03 0.443 . . . . 0.0 110.004 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 178.0 155.6 14.58 Favored Glycine 0 CA--C 1.528 0.885 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.53 166.27 29.91 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.624 2.216 . . . . 0.0 112.305 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.483 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 12.3 p30 -95.54 121.34 37.13 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.33 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 32' ' ' LEU . 7.4 mt -77.06 34.67 0.16 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.167 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 61.2 m170 -61.69 141.27 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.71 30.99 0.02 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.82 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.7 tp -48.73 -57.77 5.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.03 0.443 . . . . 0.0 111.289 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -53.49 92.44 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.5 -26.87 2.64 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.633 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.565 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.4 mtm180 -88.08 148.83 24.28 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 117.185 0.492 . . . . 0.0 111.443 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.8 mmtt -70.23 168.41 15.85 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.857 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.47 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 9.0 p -66.55 143.33 57.11 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.142 0.496 . . . . 0.0 111.55 -179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.94 50.74 8.69 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -115.58 -18.96 10.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.659 0.266 . . . . 0.0 111.096 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.78 124.21 86.89 Favored Pre-proline 0 CA--C 1.535 0.381 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.333 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -78.99 117.28 3.86 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 122.298 1.999 . . . . 0.0 112.084 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.53 -80.86 0.16 Allowed Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -70.83 151.68 44.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.916 0.389 . . . . 0.0 110.813 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.2 m -75.65 84.53 2.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.364 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.5 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.4 m-85 -62.13 152.12 33.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.11 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -85.16 157.55 20.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.179 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.3 p30 -53.94 -46.8 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.662 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -52.1 -40.97 62.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.695 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -80.94 -26.4 36.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.094 0.473 . . . . 0.0 109.891 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -83.17 -11.46 57.87 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.685 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.592 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.26 -18.87 65.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.379 -179.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 92.3 mttt 56.24 64.22 1.77 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.76 -40.32 6.77 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -144.37 176.82 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.673 0.273 . . . . 0.0 110.567 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.2 m -113.6 140.69 47.97 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.358 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.661 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.7 m0 -62.9 136.01 57.62 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.027 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' N ' ' OG1' ' A' ' 63' ' ' THR . 8.3 mtmp? -156.67 -160.7 1.0 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.2 tt0 -74.2 -58.04 3.56 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.542 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' MET . 41.5 mt-10 -67.41 -50.84 57.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.041 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.1 p -46.32 -38.13 8.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.409 . . . . 0.0 110.226 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.6 mt -71.32 -33.68 69.88 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.288 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 28.2 mtp -61.4 -56.92 14.88 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.78 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -59.75 -31.02 69.25 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -78.2 -27.06 47.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.698 HD12 HD11 ' A' ' 95' ' ' ILE . 11.7 mt -83.77 -2.11 55.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.118 -179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -111.93 -10.2 13.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.133 0.492 . . . . 0.0 110.029 179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.22 63.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.84 179.657 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.5 -37.09 7.52 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 123.297 2.665 . . . . 0.0 113.419 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.77 -47.71 24.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.933 -178.717 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.626 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.1 ttpp -65.73 -27.82 68.6 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.827 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.35 -57.3 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.411 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.4 mt -124.34 70.94 55.01 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.242 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 79.6 Cg_exo -40.92 124.13 1.92 Allowed 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.67 2.247 . . . . 0.0 112.261 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.02 -26.93 8.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.2 t -55.31 139.94 41.02 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 17.4 tptt -88.48 91.15 8.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.012 0.434 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.616 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.3 ttt -173.83 95.63 0.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.359 179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.616 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -108.23 98.72 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.861 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.411 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 29.0 t80 -146.42 176.43 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -75.99 110.09 10.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.35 -163.26 0.15 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.488 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -103.88 159.39 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.488 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -103.17 -69.1 0.81 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.724 -178.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -78.43 159.6 28.2 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.037 0.446 . . . . 0.0 111.59 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 ttpt -71.23 -38.09 72.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.449 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -67.54 -23.04 65.39 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.375 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -68.49 -43.05 77.72 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.601 ' O ' HD12 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -76.03 -45.94 31.88 Favored 'General case' 0 C--O 1.228 -0.068 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 178.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -54.22 -53.56 51.83 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -60.73 -48.28 82.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.045 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -57.47 -33.93 68.48 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.105 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.698 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -77.01 -30.19 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.258 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.22 80.61 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 60.2 t80 -75.56 -50.26 16.13 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.863 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 102' ' ' THR . 10.6 mt -51.17 -23.74 3.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.778 0.323 . . . . 0.0 110.251 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -78.88 -52.97 7.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.735 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -75.52 -16.7 60.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.846 0.355 . . . . 0.0 110.637 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.66 -30.88 21.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.567 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 98' ' ' LEU . 49.6 p -89.59 -5.5 57.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.18 0.514 . . . . 0.0 109.937 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.44 -24.92 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.216 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.598 -179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.662 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.756 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.483 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' GLU . 78.7 m-20 -145.11 85.6 1.75 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.925 0.393 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.6 -20.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.152 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASP . 52.7 mt-10 -72.07 -58.47 3.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -74.7 -15.84 60.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.234 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -78.06 -29.56 53.64 Favored Glycine 0 CA--C 1.518 0.229 0 N-CA-C 108.789 -1.724 . . . . 0.0 108.789 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -73.71 -43.66 58.61 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.976 -0.612 . . . . 0.0 110.446 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -68.22 -32.49 72.73 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.771 -179.756 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 88.0 mt -74.05 -25.11 19.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.6 t80 -80.04 -52.34 7.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.132 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.74 -32.08 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.308 0 CA-C-O 120.795 0.331 . . . . 0.0 111.307 -179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -94.23 -25.51 17.03 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.385 -0.526 . . . . 0.0 112.401 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.702 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.2 ttmt -101.71 -65.67 0.97 Allowed 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 -177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.531 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.9 m -81.9 -36.87 27.67 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -176.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.69 -26.91 1.7 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.109 -0.636 . . . . 0.0 110.545 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -46.19 -57.14 4.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.51 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.68 53.12 1.87 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.218 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.5 m-70 -158.88 -175.93 5.58 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.351 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.91 -39.47 0.45 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.53 -179.564 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' O ' ' O ' ' A' ' 101' ' ' ALA . 16.4 m 42.92 34.5 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.048 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.525 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -132.26 117.28 17.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.054 0.454 . . . . 0.0 110.174 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -54.42 134.85 45.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.6 27.99 73.46 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.62 -138.37 9.33 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 1.8 ptpp? -151.65 116.41 5.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.744 0.306 . . . . 0.0 110.566 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.29 123.64 13.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.588 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -122.57 115.19 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.165 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 49.53 27.87 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.019 0.438 . . . . 0.0 110.166 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.92 161.35 14.76 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.08 174.67 10.97 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.647 2.231 . . . . 0.0 111.909 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.632 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.3 t-20 -103.36 130.54 50.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.227 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.0 mt -77.0 32.1 0.14 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.202 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.632 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 51.5 m170 -49.75 124.6 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.608 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.01 40.03 0.48 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 64' ' ' LEU . 9.6 tp -45.41 -56.36 5.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.36 . . . . 0.0 110.595 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.598 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.1 m-85 -49.08 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.658 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.9 -24.74 3.79 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.518 -1.033 . . . . 0.0 110.518 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -75.56 153.12 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.729 0.299 . . . . 0.0 110.348 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.511 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -93.23 137.5 32.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.931 0.396 . . . . 0.0 109.988 179.362 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.462 ' O ' ' O ' ' A' ' 52' ' ' ASN . 66.5 p -38.13 131.63 1.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.028 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.436 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 53.55 50.6 52.65 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 21.2 tt0 -117.24 -19.0 9.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.617 0.246 . . . . 0.0 110.805 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -60.7 121.44 61.2 Favored Pre-proline 0 CA--C 1.534 0.329 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.342 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -79.01 116.81 3.76 Favored 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.29 1.993 . . . . 0.0 112.065 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.92 -78.63 0.19 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -70.96 149.43 46.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.759 0.314 . . . . 0.0 110.757 -179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.3 m -75.67 84.58 2.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.493 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.567 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 34.7 m-85 -64.6 152.02 43.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.784 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.2 p -79.87 156.78 27.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.427 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' ASN . 7.1 m-20 -54.8 -43.6 73.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.623 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.23 -43.99 71.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.99 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' O ' ' O ' ' A' ' 40' ' ' THR . 3.5 t30 -80.99 -25.66 37.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.283 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 7.0 ttmt -86.15 -7.35 58.64 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.623 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.48 -19.44 65.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.124 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.7 mttm 60.37 64.32 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.295 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.32 -44.98 7.19 Favored Glycine 0 CA--C 1.524 0.63 0 C-N-CA 120.934 -0.651 . . . . 0.0 111.543 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.641 HD11 ' O ' ' A' ' 302' ' ' HOH . 2.5 pp -144.58 178.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.927 0.394 . . . . 0.0 110.932 -179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -109.6 139.2 44.91 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.391 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -62.83 142.19 58.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.023 0.439 . . . . 0.0 110.489 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.22 -168.29 2.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.531 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -71.48 -58.36 3.58 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 63' ' ' THR . 10.2 pt-20 -69.12 -43.98 73.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.155 -179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 75.6 p -52.01 -37.81 54.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.165 0.507 . . . . 0.0 109.802 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.895 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.0 mt -68.11 -37.67 81.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.907 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 21.1 mtp -56.51 -56.97 14.58 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.38 -29.75 66.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.26 -28.93 53.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.065 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.626 HD21 HMB2 ' A' ' 201' ' ' HEC . 28.8 mt -78.61 -21.37 48.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.06 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -90.85 -12.95 34.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.056 0.455 . . . . 0.0 110.179 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.517 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.3 p-10 -173.83 72.84 0.36 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.32 -33.77 47.02 Favored 'Trans proline' 0 C--N 1.303 -1.832 0 C-N-CA 123.035 2.49 . . . . 0.0 112.755 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -83.48 -48.04 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.803 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -64.45 -13.29 50.82 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.154 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -84.32 -55.89 3.93 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.904 -0.319 . . . . 0.0 110.389 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 mt -126.7 73.13 74.92 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.241 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 88.4 Cg_exo -43.31 125.37 4.46 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.852 2.368 . . . . 0.0 112.232 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.8 -28.9 6.82 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.7 t -55.47 147.12 18.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.604 0.24 . . . . 0.0 110.402 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -94.38 91.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.95 0.405 . . . . 0.0 110.494 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -176.77 95.57 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.269 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.9 mp -109.52 101.83 13.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.174 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -152.44 148.11 27.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 84' ' ' GLY . . . -53.7 110.74 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 83' ' ' ALA . . . -55.85 -161.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.702 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.2 mm -98.27 159.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.676 0.274 . . . . 0.0 110.363 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 45.8 mttp -98.01 -69.5 0.76 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.594 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -82.99 162.51 21.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.122 0.486 . . . . 0.0 111.381 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.7 tmtt? -70.84 -48.83 51.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.278 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.8 p -56.31 -24.57 44.37 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -70.41 -35.69 73.58 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' HG3' HG21 ' A' ' 85' ' ' ILE . 65.1 mtm-85 -75.71 -50.71 14.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.445 178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -57.22 -53.43 58.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.922 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -57.68 -51.62 68.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.945 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.8 tp -54.48 -39.26 67.32 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.193 0.52 . . . . 0.0 109.974 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.627 ' HA ' HD12 ' A' ' 98' ' ' LEU . 36.8 mt -75.04 -28.29 20.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.697 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.18 -34.9 78.5 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -74.02 -34.87 64.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.338 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 ' O ' HG23 ' A' ' 102' ' ' THR . 18.7 mt -61.12 -48.08 83.28 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.131 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -58.11 -53.4 58.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.117 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -70.68 -26.88 63.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.368 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -85.96 -21.47 27.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.002 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 98' ' ' LEU . 32.3 p -92.18 0.64 57.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.092 0.473 . . . . 0.0 110.061 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -111.14 -24.47 10.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.76 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 103' ' ' ASN . 25.0 mm-40 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.951 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.688 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.895 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.641 ' O ' HD11 ' A' ' 57' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.458 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -110.49 89.26 2.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 110.764 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 3' ' ' VAL . 2.1 p -57.4 -18.82 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.061 179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -74.61 -58.81 3.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.558 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -19.4 62.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.52 -36.22 68.48 Favored Glycine 0 CA--C 1.517 0.211 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -66.8 -42.72 85.47 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.234 -0.483 . . . . 0.0 109.729 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -59.12 -47.61 84.64 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.558 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.76 -22.41 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.946 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.537 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.46 -52.44 7.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.573 -179.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.53 -31.85 23.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.789 0.328 . . . . 0.0 111.437 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -96.58 -24.12 16.19 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' CD ' HBB1 ' A' ' 201' ' ' HEC . 8.8 ttmm -101.64 -63.58 1.13 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -178.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.488 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.43 -36.53 22.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 -176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.87 -27.21 2.0 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.689 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -47.4 -57.13 5.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.36 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.523 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.41 53.6 1.81 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 120.931 -0.307 . . . . 0.0 111.465 -179.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 44.3 m-70 -158.18 -177.74 6.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.521 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -136.01 -42.17 0.66 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.335 -179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG21 ' CE2' ' A' ' 10' ' ' PHE . 10.2 m 42.43 24.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.905 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -121.61 117.65 27.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.006 0.432 . . . . 0.0 110.357 179.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -59.36 143.28 50.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.727 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.62 18.33 75.58 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.05 -140.4 11.37 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.7 141.21 21.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.946 0.403 . . . . 0.0 110.495 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -54.29 119.07 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.24 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -110.75 97.05 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.296 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 48.37 27.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.211 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -180.0 163.46 30.61 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 147.66 55.41 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.653 2.236 . . . . 0.0 112.03 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 1.0 OUTLIER -77.59 119.44 21.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.354 179.847 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.4 mt -79.85 32.81 0.26 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.994 -179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 60.6 m170 -60.82 138.14 58.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.66 30.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.818 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.6 tp -43.44 -57.72 2.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.014 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.422 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 19.7 m-85 -53.67 91.4 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.5 -26.82 2.26 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.679 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.597 HH12 ' HB2' ' A' ' 43' ' ' ALA . 14.8 mtm180 -88.0 157.46 18.9 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 117.21 0.505 . . . . 0.0 111.529 -179.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.593 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 13.6 mmtp -79.3 164.33 24.19 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.665 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.467 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 16.0 p -64.52 140.86 58.91 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.05 0.452 . . . . 0.0 111.578 -179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.38 51.44 21.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.557 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.9 tt0 -107.62 -19.1 13.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.581 0.229 . . . . 0.0 111.203 -179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB2' HH12 ' A' ' 38' ' ' ARG . . . -79.34 121.99 83.54 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.496 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.71 17.71 1.09 Allowed 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.375 2.05 . . . . 0.0 112.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.29 -64.01 2.06 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 19.5 t80 -96.54 154.97 16.97 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.765 0.317 . . . . 0.0 110.937 -179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 60.5 m -71.37 85.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.246 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.543 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 17.3 m-85 -63.55 151.02 42.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.328 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.514 HG21 ' O ' ' A' ' 77' ' ' GLY . 69.9 p -84.7 160.9 20.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.164 179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.52 -39.28 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -60.78 -40.63 93.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.818 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.02 -25.0 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.959 0.409 . . . . 0.0 110.268 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -84.74 -11.43 55.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -19.02 65.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.28 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 5.9 mtmt 56.72 64.4 1.67 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.43 -42.7 7.28 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.795 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.71 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -143.26 175.68 3.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.546 ' N ' HD12 ' A' ' 57' ' ' ILE . 89.5 m -109.8 140.81 43.3 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.265 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 5.6 m0 -64.07 135.41 56.37 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.001 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -155.17 -160.85 1.1 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.638 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 65' ' ' MET . 30.1 tt0 -76.02 -58.34 3.34 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.612 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -68.22 -46.61 70.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.358 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.8 p -49.51 -38.55 30.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.017 0.437 . . . . 0.0 109.962 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.818 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.6 mt -70.34 -33.57 71.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 29.1 mtp -61.85 -57.09 13.15 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.2 -179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -60.68 -30.6 70.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.258 0.551 . . . . 0.0 109.579 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -78.44 -27.23 46.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.453 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -79.49 -21.49 45.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.33 -13.36 40.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 110.61 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.611 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.01 65.84 0.3 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.109 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -43.67 -28.62 1.95 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 123.292 2.662 . . . . 0.0 113.258 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' HE2' HD11 ' A' ' 81' ' ' ILE . 1.8 tppp? -81.55 -47.95 12.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.732 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.611 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 30.4 ttpt -62.54 -32.09 72.99 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.421 -178.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -67.54 -56.95 7.46 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.542 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.39 68.5 77.45 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.112 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.519 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.9 Cg_exo -41.07 148.25 0.24 Allowed 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.8 2.333 . . . . 0.0 112.119 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' HG21 ' A' ' 49' ' ' THR . . . 97.56 -30.65 8.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.7 t -55.16 138.83 43.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.645 0.26 . . . . 0.0 110.397 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 55.5 mttt -83.37 91.19 7.28 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.929 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.67 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.1 ttt -173.7 95.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.598 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 80' ' ' MET . 3.6 mp -127.37 102.62 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.067 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -137.93 -77.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.512 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -168.27 117.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.648 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.78 157.76 50.74 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.59 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -71.55 164.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.59 ' N ' HG22 ' A' ' 85' ' ' ILE . 1.7 mmmm -112.84 -61.89 1.67 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.499 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -83.36 158.73 22.04 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.967 0.413 . . . . 0.0 111.551 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.14 -39.88 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -64.91 -25.95 68.1 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.298 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -67.32 -38.43 84.91 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 95' ' ' ILE . 8.8 mtt180 -76.63 -49.69 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.817 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -55.67 -53.47 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.075 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -59.48 -50.9 72.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.036 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.7 tp -55.88 -35.83 66.95 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.433 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 68' ' ' LEU . 4.9 mt -77.17 -31.75 18.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.503 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.01 -37.41 76.83 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 66.2 t80 -73.93 -55.35 6.27 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.79 179.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.587 ' O ' HG23 ' A' ' 102' ' ' THR . 9.4 mt -45.45 -24.91 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.307 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 47.7 mtpt -78.15 -53.71 7.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -74.84 -17.03 60.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.59 -31.16 21.33 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 98' ' ' LEU . 42.4 p -88.05 -4.57 58.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.797 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -94.79 -25.44 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.22 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.062 -0.97 . . . . 0.0 110.528 179.927 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.684 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.752 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' GLU . 12.1 m-20 -130.88 89.82 2.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.588 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -45.71 -18.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.207 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASP . 30.1 mt-10 -72.47 -58.62 3.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.616 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -70.58 -21.99 62.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.44 -36.59 84.29 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 109.296 -1.522 . . . . 0.0 109.296 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -68.44 -41.69 79.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.298 -0.451 . . . . 0.0 109.922 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.03 -46.88 88.04 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.089 0.471 . . . . 0.0 110.775 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.2 mt -67.72 -22.48 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.936 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.0 t80 -81.4 -52.4 7.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.606 -179.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.17 -31.91 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.818 0.342 . . . . 0.0 111.491 -178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' ' OE1' ' A' ' 16' ' ' GLN . 2.3 pt20 -94.9 -26.46 16.15 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.67 -64.0 1.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.579 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -81.74 -38.98 24.86 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.62 -26.61 1.54 Allowed 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.54 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.44 ' OE1' ' O ' ' A' ' 12' ' ' GLN . 14.7 mt-30 -48.02 -60.08 2.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.144 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -123.64 50.97 1.54 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.333 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 52.6 m-70 -157.33 -176.13 5.79 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.961 0.41 . . . . 0.0 111.013 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -142.25 -35.69 0.43 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.281 -179.644 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.537 HG12 HD12 ' A' ' 32' ' ' LEU . 14.2 m 40.02 30.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.604 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.6 pt-20 -132.59 118.54 19.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.954 0.407 . . . . 0.0 110.513 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.4 tttm -58.76 137.52 57.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.678 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.01 20.29 79.5 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.65 -141.5 11.57 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 pttt -151.76 119.09 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.805 0.336 . . . . 0.0 110.502 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -53.94 118.78 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.406 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 29' ' ' GLY . 17.8 ttmm -112.1 119.57 38.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.433 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.593 ' O ' HG22 ' A' ' 28' ' ' THR . 26.7 m 42.27 27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.045 0.45 . . . . 0.0 110.261 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 170.09 158.39 13.9 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.59 176.33 6.79 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.679 2.252 . . . . 0.0 112.345 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.459 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.3 p30 -96.28 162.97 13.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.936 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 HG12 ' A' ' 20' ' ' VAL . 14.7 mt -114.71 33.94 5.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.206 179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 23.6 m170 -62.2 138.82 58.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.377 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.78 32.95 0.07 OUTLIER Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.74 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.5 tp -47.74 -57.76 5.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.47 . . . . 0.0 111.199 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.61 ' CE2' HD12 ' A' ' 64' ' ' LEU . 25.9 m-85 -55.59 93.3 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.685 -178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.71 -25.68 2.94 Favored Glycine 0 CA--C 1.531 1.073 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.834 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.535 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 8.8 mtm180 -89.68 143.03 27.14 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 117.314 0.557 . . . . 0.0 111.879 -178.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 39.4 mmtt -62.6 172.45 1.6 Allowed 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.721 179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.7 p -69.98 146.91 50.75 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.11 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 48.84 50.96 25.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.484 -0.647 . . . . 0.0 111.484 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 -111.27 -19.26 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.723 0.297 . . . . 0.0 110.987 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -65.16 120.05 64.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 0.0 110.389 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -79.11 113.65 3.24 Favored 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.452 2.101 . . . . 0.0 111.972 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 158.58 -79.6 0.17 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -70.89 145.66 50.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.667 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.8 m -72.85 81.43 1.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.535 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.522 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 19.6 m-85 -57.07 152.58 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.369 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.3 p -82.58 151.36 26.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.694 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 54' ' ' ASN . 36.5 t0 -46.15 -41.28 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.51 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.628 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.24 -40.25 73.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.663 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.544 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 5.2 m-20 -81.1 -26.92 35.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.931 0.396 . . . . 0.0 110.289 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -84.56 -11.33 56.26 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.628 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.39 -19.17 65.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.109 179.746 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.554 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 48.1 mttp 53.86 64.11 1.95 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.476 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.33 -38.67 6.23 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.51 -178.72 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 9.5 m -126.6 140.94 52.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 0.0 111.115 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.642 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.1 m0 -62.7 138.92 58.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.191 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 51.6 mtmt -156.78 -165.03 1.76 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -75.77 -58.57 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.675 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -69.14 -39.44 78.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 59.6 p -58.78 -36.14 73.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.865 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.13 -36.48 81.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.922 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.0 mtp -57.88 -57.11 14.21 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.099 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.1 -28.55 67.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.097 0.475 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -77.57 -29.68 52.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.063 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.585 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.4 mt -78.46 -22.71 47.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.708 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -86.75 -14.4 42.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.073 0.463 . . . . 0.0 110.071 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.597 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.81 70.01 0.29 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.102 179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -47.75 -34.97 22.61 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 123.235 2.623 . . . . 0.0 113.1 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.659 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -76.4 -47.76 22.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.097 -178.719 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.597 ' H ' HD22 ' A' ' 70' ' ' ASN . 12.6 ttpp -65.29 -27.56 68.71 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.682 -178.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -66.84 -57.01 7.86 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.564 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -126.34 71.65 71.46 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.878 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -40.86 125.23 2.15 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 122.845 2.363 . . . . 0.0 112.309 -179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 117.42 -28.46 7.15 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.8 t -55.47 140.07 41.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.714 0.293 . . . . 0.0 110.264 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 16.5 tptt -89.75 91.27 8.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.894 0.378 . . . . 0.0 110.671 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.758 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.1 ttt -172.43 96.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.493 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -128.53 103.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.416 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -136.71 -70.5 0.46 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.363 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.53 119.72 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.69 174.46 39.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.1 mm -88.65 157.18 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 0.0 110.289 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 85' ' ' ILE . 51.5 mttm -95.76 -72.37 0.63 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.717 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -81.52 162.37 23.23 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.008 0.432 . . . . 0.0 111.421 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -71.08 -47.58 57.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.207 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 45.7 p -53.89 -27.93 33.32 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.255 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -68.5 -35.4 77.45 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.42 ' HG3' HG21 ' A' ' 85' ' ' ILE . 49.6 mtm180 -77.09 -47.97 19.07 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.884 179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -59.42 -53.32 59.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.029 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.5 m-20 -58.54 -50.38 74.0 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.054 179.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.5 tp -56.56 -38.76 72.38 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.316 0.579 . . . . 0.0 110.021 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.644 ' HA ' HD12 ' A' ' 98' ' ' LEU . 52.3 mt -76.95 -27.4 16.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.019 -179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.42 -35.82 80.02 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.7 t80 -74.17 -34.6 63.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.644 HD12 ' HA ' ' A' ' 95' ' ' ILE . 22.9 mt -59.53 -46.69 88.14 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.875 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -58.47 -54.75 43.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.02 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -70.3 -24.8 63.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.227 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -23.03 26.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.259 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 98' ' ' LEU . 40.4 p -97.74 3.61 50.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.017 0.437 . . . . 0.0 110.3 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -104.2 -22.9 13.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.363 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.665 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.679 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.865 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.459 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.421 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.85 85.23 3.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.846 0.355 . . . . 0.0 110.697 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -48.19 -19.7 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.366 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -74.16 -58.65 3.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.755 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -71.57 -19.04 62.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.905 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -37.63 65.3 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.074 -1.61 . . . . 0.0 109.074 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -66.83 -41.97 86.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -47.88 83.67 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.711 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.82 -22.42 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.916 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.72 -52.45 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.617 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -55.51 -30.85 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.424 -178.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.76 -25.58 16.01 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.5 ttmt -101.82 -65.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.4 m -81.47 -36.47 29.3 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -176.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.63 -26.94 1.66 Allowed 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.18 -0.608 . . . . 0.0 110.56 -178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -47.25 -60.23 2.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.293 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.2 51.54 1.67 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.483 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.452 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.7 m-70 -156.58 -175.91 5.68 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.086 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -140.81 -39.09 0.42 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.395 -179.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.0 m 39.53 23.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.602 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.532 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -117.4 113.65 22.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.074 0.464 . . . . 0.0 110.357 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -44.68 144.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.806 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 54.46 27.65 41.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.47 -143.64 8.44 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -151.88 118.25 5.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -54.17 124.3 15.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.668 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -128.94 97.8 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.021 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m 65.62 27.48 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.104 0.478 . . . . 0.0 109.938 -179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.34 158.12 12.03 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.08 169.46 22.53 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.622 2.215 . . . . 0.0 112.315 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 13.8 p30 -97.13 123.84 41.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.064 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.5 mt -78.59 33.76 0.21 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.245 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 59.6 m170 -61.4 141.46 57.62 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.0 31.17 0.01 OUTLIER Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 3.4 tp -48.95 -57.92 5.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.065 0.46 . . . . 0.0 111.27 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.1 m-85 -52.64 93.15 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.618 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.84 -27.53 2.68 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.769 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.3 mtm180 -88.37 148.28 24.33 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.382 0.591 . . . . 0.0 111.518 -178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.558 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.9 mmtp -68.66 168.05 13.94 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.894 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.3 p -65.45 146.39 54.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.028 0.442 . . . . 0.0 111.234 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.526 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.16 50.58 9.33 Favored Glycine 0 CA--C 1.52 0.389 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -117.17 -7.1 11.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.656 0.265 . . . . 0.0 110.73 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.39 122.63 84.21 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.341 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -78.85 113.44 3.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.308 2.005 . . . . 0.0 112.094 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.63 -82.54 0.12 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -70.89 149.23 46.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.6 m -71.51 83.15 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.492 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' HA2' ' A' ' 41' ' ' GLY . 18.6 m-85 -61.34 152.33 29.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.923 -179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -84.85 161.12 20.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.622 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.4 m-20 -57.31 -44.38 84.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.608 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.07 -38.93 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.679 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 m-20 -81.24 -28.01 34.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.331 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -84.19 -10.85 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.608 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.21 -19.13 65.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.292 179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 28.1 mtmm 55.62 64.34 1.78 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.625 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.78 -41.05 6.5 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.578 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.12 -179.76 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.632 0.253 . . . . 0.0 110.379 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.578 ' N ' HD12 ' A' ' 57' ' ' ILE . 47.3 m -120.58 140.85 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 111.047 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.2 m0 -63.03 137.1 58.16 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.917 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.4 mtmt -156.56 -164.11 1.58 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.595 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -76.35 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.69 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 4.4 pm0 -69.75 -36.98 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.022 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.565 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -60.55 -36.5 78.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.0 mt -68.59 -35.29 77.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.031 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.2 mtp -57.94 -56.95 15.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.907 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.21 -29.86 69.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -78.13 -28.67 48.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.462 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HMB2 ' A' ' 201' ' ' HEC . 17.0 mt -78.96 -22.58 45.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -90.75 -11.55 39.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.074 0.464 . . . . 0.0 110.685 -179.807 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.658 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.42 68.08 0.35 Allowed Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.082 179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -46.82 -36.95 20.7 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.409 2.739 . . . . 0.0 113.55 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.647 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.9 tppt? -78.2 -48.18 16.41 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.853 0.316 . . . . 0.0 111.853 -178.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.658 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 36.1 ttpt -61.4 -30.66 70.69 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.377 -178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -66.61 -56.94 8.42 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.475 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.8 mt -127.49 70.88 76.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.101 179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.45 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 81.6 Cg_exo -41.48 128.39 3.41 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.791 2.327 . . . . 0.0 112.198 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.57 -30.48 6.17 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.5 t -55.49 137.85 47.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 110.428 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 24.5 tptt -85.55 91.51 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.904 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.42 ' C ' HD12 ' A' ' 81' ' ' ILE . 18.7 ttt -176.39 100.75 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.27 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.647 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.55 84.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.553 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -114.52 -74.01 0.63 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.51 113.51 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.9 171.72 16.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.8 mm -84.45 159.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.723 0.297 . . . . 0.0 110.28 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 52.3 mttm -97.44 -70.52 0.72 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.589 -179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -86.02 162.68 18.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.23 0.538 . . . . 0.0 111.48 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -69.51 -50.38 45.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.389 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.2 p -51.01 -29.44 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.364 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -66.66 -36.13 81.83 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -77.12 -45.69 26.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.182 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.49 -53.39 58.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.295 -0.411 . . . . 0.0 109.914 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -59.36 -51.18 71.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.94 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.6 tp -55.69 -37.72 68.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.061 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD11 HD12 ' A' ' 68' ' ' LEU . 53.6 mt -76.99 -29.06 17.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.063 -179.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.17 80.15 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -75.35 -44.61 44.22 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.688 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' O ' HG23 ' A' ' 102' ' ' THR . 13.6 mt -56.04 -23.63 34.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.121 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 46.7 mtpt -78.43 -53.31 7.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -73.96 -18.19 60.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.662 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.22 -30.05 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.527 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.8 p -91.99 -8.14 46.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.162 0.506 . . . . 0.0 109.915 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -103.49 -23.11 13.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.04 179.758 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 103' ' ' ASN . 12.2 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.965 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.687 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.751 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.454 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.2 84.45 2.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -48.98 -20.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.25 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.43 -58.68 3.14 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.3 mppt? -70.61 -20.46 62.75 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.87 -34.54 62.2 Favored Glycine 0 CA--C 1.517 0.216 0 N-CA-C 109.049 -1.62 . . . . 0.0 109.049 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.66 -42.17 78.28 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.247 -0.476 . . . . 0.0 109.926 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.421 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.0 OUTLIER -58.84 -50.33 74.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.197 0.523 . . . . 0.0 110.585 179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 70.8 mt -64.55 -24.38 35.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.852 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.552 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.0 t80 -78.27 -52.25 8.93 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.759 -0.376 . . . . 0.0 111.641 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.8 m -54.86 -30.29 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 111.289 -178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -96.34 -24.09 16.33 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 21.0 mtpt -101.46 -63.55 1.13 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -86.52 -35.33 19.63 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -175.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.89 -26.89 1.86 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.779 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -47.77 -66.58 0.38 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.828 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.575 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.15 46.23 1.61 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -178.706 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.575 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.5 m-70 -154.31 179.38 9.04 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.104 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -133.07 -37.91 0.98 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.488 -179.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.7 m 42.18 32.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.893 179.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.505 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 7.8 pt-20 -129.06 124.48 34.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 110.501 179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' N ' ' OE1' ' A' ' 104' ' ' GLU . 26.2 tptt -45.41 146.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.874 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 41.97 36.88 2.0 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.38 -137.96 2.79 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.489 ' O ' ' CG ' ' A' ' 25' ' ' LYS . 7.1 ptpt -151.65 114.54 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.035 0.445 . . . . 0.0 110.481 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' HD22 ' A' ' 31' ' ' ASN . 1.7 m-70 -54.4 124.62 16.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.542 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -134.02 122.56 23.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 43.73 27.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.101 0.477 . . . . 0.0 110.236 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.27 156.93 8.87 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.14 170.26 19.48 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.554 2.17 . . . . 0.0 112.192 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 8.2 p30 -88.56 161.78 16.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.154 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -116.26 37.26 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 110.295 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 24.3 m170 -63.18 140.05 58.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.488 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.06 31.84 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.815 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.4 tp -44.47 -57.85 3.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 111.024 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.405 ' CZ ' ' HG3' ' A' ' 99' ' ' LYS . 21.9 m-85 -55.34 91.24 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.49 -179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.38 -26.73 2.42 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.746 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.4 mtm180 -89.55 149.64 22.78 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 117.287 0.544 . . . . 0.0 111.569 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.4 mmtt -70.76 167.65 18.35 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.858 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.443 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.0 p -66.31 143.1 57.39 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.036 0.446 . . . . 0.0 111.506 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 50.18 51.08 32.02 Favored Glycine 0 CA--C 1.524 0.617 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.567 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.551 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.3 tt0 -106.1 -19.07 13.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.776 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -77.33 117.69 67.04 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.47 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.72 20.69 0.94 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 122.526 2.151 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.83 -43.79 9.72 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -122.25 155.36 36.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.0 m -70.82 82.2 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.218 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.541 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 13.4 m-85 -57.09 154.7 9.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.029 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 HG21 ' O ' ' A' ' 77' ' ' GLY . 81.4 p -82.16 155.69 24.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.592 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.7 p-10 -49.29 -47.08 47.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.613 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.52 -38.31 63.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.838 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -81.12 -27.8 35.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.891 0.377 . . . . 0.0 110.488 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -84.85 -12.43 53.56 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.613 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.12 -18.87 65.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.205 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.557 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.1 mtmp? 55.8 64.36 1.76 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.03 -40.43 7.54 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.72 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -144.8 172.27 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.676 0.274 . . . . 0.0 110.594 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.536 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.4 m -109.9 140.84 43.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.652 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.6 m0 -62.72 136.8 58.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.913 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.66 -162.01 1.25 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.18 -58.29 3.37 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.372 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' HA ' ' SD ' ' A' ' 65' ' ' MET . 30.3 mt-10 -67.78 -46.42 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.9 p -49.62 -38.71 33.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 109.926 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.815 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.5 mt -69.91 -33.63 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.273 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.403 ' SD ' ' HA ' ' A' ' 62' ' ' GLU . 23.5 mtp -61.02 -56.96 14.93 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.823 -0.351 . . . . 0.0 111.175 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.35 -30.71 69.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.242 0.544 . . . . 0.0 109.635 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -78.26 -26.99 47.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.384 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 95' ' ' ILE . 6.8 mt -79.15 -20.29 48.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.326 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -95.54 -11.36 27.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.544 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.06 69.14 0.43 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.091 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -49.63 -36.9 42.3 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 123.218 2.612 . . . . 0.0 113.3 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.7 -47.8 24.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.037 -178.658 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.624 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 8.7 tmtt? -64.13 -31.06 72.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.9 -178.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -67.44 -57.23 6.94 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.74 -179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.0 mt -123.35 70.2 43.38 Favored Pre-proline 0 N--CA 1.464 0.245 0 CA-C-O 120.677 0.275 . . . . 0.0 110.345 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -40.51 128.88 2.51 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.937 2.425 . . . . 0.0 112.28 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.557 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 111.81 -26.62 11.37 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.7 t -55.42 142.08 33.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.775 0.321 . . . . 0.0 110.332 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -88.19 91.58 8.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.754 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.599 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.7 ttt -178.23 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.48 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 81' ' ' ILE . 1.9 mp -109.16 99.16 8.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.259 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -147.93 151.38 35.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.472 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.54 110.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.46 -176.43 0.45 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -84.6 159.08 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.469 ' N ' HG22 ' A' ' 85' ' ' ILE . 22.9 tptt -99.19 -69.16 0.77 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.527 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -84.77 162.84 19.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.089 0.471 . . . . 0.0 111.33 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -71.1 -50.38 34.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.326 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.0 p -51.71 -27.13 10.84 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -67.82 -39.76 83.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.655 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.0 mtt180 -73.08 -50.21 24.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.878 178.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -57.36 -53.57 56.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.107 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -58.65 -51.37 70.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.91 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.0 tp -55.34 -38.65 69.03 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.37 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 68' ' ' LEU . 4.7 mt -74.51 -28.99 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.283 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.37 80.23 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -76.04 -48.24 21.68 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.731 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 9.2 mt -53.17 -22.58 6.73 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' HG3' ' CZ ' ' A' ' 36' ' ' PHE . 42.9 mtpt -80.04 -54.3 5.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.799 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -72.7 -17.37 61.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.39 -32.74 20.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 73.3 p -91.85 -3.86 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.174 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 104' ' ' GLU . 0.9 OUTLIER -105.23 -23.1 12.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.94 179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 22' ' ' LYS . 34.1 mt-10 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.652 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.751 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.475 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.417 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -140.21 85.18 2.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 110.676 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.89 -18.82 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.329 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' N ' ' C ' ' A' ' 2' ' ' ASP . 67.7 mt-10 -73.89 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.73 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.1 mtmt -71.66 -19.75 62.05 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.74 -33.75 63.1 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.012 -1.635 . . . . 0.0 109.012 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -69.51 -42.51 74.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.2 -0.5 . . . . 0.0 109.835 178.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -58.86 -49.78 76.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.081 0.467 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 67.9 mt -65.28 -24.65 35.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.878 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CE2' HG21 ' A' ' 20' ' ' VAL . 3.4 t80 -78.63 -52.32 8.61 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.828 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -55.36 -30.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 -178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.36 -26.24 15.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 36.6 mttt -101.26 -62.14 1.29 Allowed 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.982 1.105 . . . . 0.0 113.982 -178.161 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -85.99 -37.67 18.73 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.08 -27.04 2.09 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.648 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -47.11 -63.57 1.0 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.512 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.604 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.38 47.84 1.7 Allowed 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -179.022 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.604 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.4 m-70 -155.72 -177.6 6.68 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.154 179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.469 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.77 -38.57 0.64 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.59 -179.605 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.9 m 41.38 30.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.596 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -127.49 119.41 26.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 110.524 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -48.71 147.58 2.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.705 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.91 30.1 21.48 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.41 -142.61 10.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.08 117.09 5.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.39 . . . . 0.0 110.265 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.13 124.15 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.67 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -117.83 116.95 28.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.176 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m 44.52 27.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.038 0.447 . . . . 0.0 110.173 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 169.82 156.64 11.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.73 173.48 9.97 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.577 2.185 . . . . 0.0 112.177 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -94.6 165.56 12.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.911 179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.7 mt -118.8 37.02 4.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.591 0.234 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.78 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.325 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.23 29.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.801 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.2 tp -43.36 -57.82 2.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.223 0.535 . . . . 0.0 110.98 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 8.5 m-85 -54.39 90.41 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.408 -179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.5 -23.88 2.5 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.889 178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.587 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -89.43 158.26 17.81 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.41 0.605 . . . . 0.0 111.795 -178.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.563 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -83.18 151.43 25.69 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.359 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.2 p -48.7 142.39 6.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.979 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 48.28 51.4 20.9 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.558 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.3 tt0 -114.71 -18.97 11.25 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.451 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -66.89 122.13 81.03 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.552 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.61 108.27 2.42 Favored 'Trans proline' 0 N--CA 1.492 1.386 0 C-N-CA 122.331 2.02 . . . . 0.0 112.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 167.72 -81.59 0.1 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -70.89 153.56 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.874 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 5.2 m -77.84 83.53 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.496 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 11.6 m-85 -57.34 151.93 15.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.529 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -84.2 151.77 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.289 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 54' ' ' ASN . 6.0 t70 -46.66 -43.08 17.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.555 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.601 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -51.34 -56.2 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.042 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.504 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 6.1 m-20 -66.24 -24.89 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.127 0.489 . . . . 0.0 109.709 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -81.83 -15.96 52.41 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.926 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.3 -18.98 65.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.666 -179.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.565 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 42.1 mtpt 59.41 64.61 1.31 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.29 -41.35 7.03 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.974 -179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.576 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -146.67 -178.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.8 m -117.32 140.58 49.39 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.615 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.66 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.1 m0 -64.05 137.58 58.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.384 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -153.54 -163.87 1.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.473 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -76.44 -58.39 3.31 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.64 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -68.18 -42.88 79.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.538 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -53.44 -37.26 62.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.075 0.464 . . . . 0.0 109.951 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.801 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.2 mt -69.64 -34.48 74.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.129 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' HD13 ' A' ' 95' ' ' ILE . 26.7 mtp -61.41 -57.02 13.94 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.15 -30.72 69.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.112 0.482 . . . . 0.0 109.702 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -78.12 -27.46 48.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.408 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.688 HD12 HD11 ' A' ' 95' ' ' ILE . 7.0 mt -78.41 -20.09 51.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.551 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 2.6 pt-20 -93.87 -12.03 29.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.825 0.345 . . . . 0.0 110.466 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.2 68.23 0.47 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 121.126 0.489 . . . . 0.0 110.373 -179.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -50.46 -36.41 48.61 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.151 2.567 . . . . 0.0 113.019 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -47.66 33.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.914 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.626 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.9 tmtp? -64.59 -32.93 74.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.816 -178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -65.22 -57.45 8.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.849 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.7 mt -128.38 70.85 79.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.278 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.8 Cg_exo -40.2 152.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.693 2.262 . . . . 0.0 112.024 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.5 -27.27 8.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 t -55.58 142.29 34.09 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 tptm -90.3 91.11 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.084 0.469 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.3 ttt -176.86 95.95 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.407 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.1 mp -128.38 109.89 20.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.146 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -144.48 -85.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.67 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -161.51 110.94 1.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.711 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.81 177.05 6.61 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.0 mm -88.15 157.66 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.681 0.277 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' N ' HG22 ' A' ' 85' ' ' ILE . 82.7 mttt -98.37 -70.64 0.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.505 -179.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -83.77 162.9 20.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.063 0.458 . . . . 0.0 111.556 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -70.95 -49.23 47.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.307 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.9 p -52.38 -27.05 14.11 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.453 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -68.12 -40.0 82.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.636 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.5 mtt180 -73.27 -49.45 27.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.956 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.06 -53.67 55.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.136 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -59.19 -48.59 81.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.047 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.8 tp -58.39 -37.02 74.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.389 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.688 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.88 -27.66 16.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.489 -179.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.1 t80 -76.45 -48.48 19.51 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.89 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 301' ' ' HOH . 16.1 mt -52.83 -22.77 5.79 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.937 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 40.6 mtmt -80.26 -47.44 14.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.649 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -78.97 -16.16 57.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.662 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.437 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.61 -33.44 20.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.485 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 42.4 p -89.17 -1.56 58.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -97.99 -23.21 15.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.146 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.66 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.736 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.367 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 4' ' ' GLU . 4.4 m-20 -107.66 88.3 2.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.37 . . . . 0.0 110.673 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.9 p -44.7 -18.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.427 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 2' ' ' ASP . 24.2 mt-10 -73.25 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -72.14 -19.47 61.77 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.59 -36.37 67.9 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 108.978 -1.649 . . . . 0.0 108.978 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -67.43 -43.04 82.12 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.203 -0.499 . . . . 0.0 109.799 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.85 -47.57 82.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 0.0 110.557 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.7 mt -66.43 -23.0 30.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.983 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.508 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.8 t80 -81.62 -52.27 7.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.702 -179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.18 -30.99 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.856 0.36 . . . . 0.0 111.487 -178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -95.31 -26.15 16.03 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -178.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttmm -101.64 -64.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.471 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.5 m -82.07 -36.05 28.04 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.25 -26.98 2.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.825 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -46.72 -59.66 2.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.564 -179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.588 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.69 51.09 1.65 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.641 -179.04 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.588 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 11.9 m-70 -158.77 -177.19 6.34 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.161 179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -138.22 -40.08 0.53 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 19' ' ' THR . 11.2 m 44.13 33.71 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.512 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.59 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.9 pt-20 -132.93 117.82 18.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.535 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 mmmt -52.65 133.99 36.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.626 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.51 26.86 73.46 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -95.64 -143.01 13.62 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -148.79 114.82 5.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.974 0.416 . . . . 0.0 110.463 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -58.03 128.09 35.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.65 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -127.99 110.69 12.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.36 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m 57.32 27.6 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.985 0.421 . . . . 0.0 110.311 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.8 152.77 7.91 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.5 171.4 10.69 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.706 2.271 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.522 HD22 ' H ' ' A' ' 33' ' ' HIS . 1.8 p-10 -98.37 125.88 43.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.474 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.3 mt -79.36 34.59 0.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.59 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 62.8 m170 -60.35 141.76 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.246 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.38 32.68 0.01 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.752 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.8 tp -48.46 -57.84 5.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.087 0.47 . . . . 0.0 111.245 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 64' ' ' LEU . 32.9 m-85 -53.86 91.29 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.557 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.93 -26.77 2.6 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.893 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.6 mtm180 -89.19 150.14 22.81 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 117.419 0.609 . . . . 0.0 111.584 -178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 12.5 mmtm -69.48 165.85 20.06 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.466 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.2 p -65.95 143.86 57.13 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 46.32 50.79 12.72 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -106.72 -19.1 13.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.495 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 138.01 50.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.035 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 46' ' ' PHE . 73.6 Cg_endo -74.58 -100.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.397 0 C-N-CA 122.24 1.96 . . . . 0.0 111.726 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.51 -89.67 0.01 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.52 ' N ' ' O ' ' A' ' 44' ' ' PRO . 52.2 t80 -74.45 154.88 38.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 97.4 m -84.75 88.7 7.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.185 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.534 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 16.2 m-85 -58.81 154.0 15.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.223 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' O ' ' A' ' 77' ' ' GLY . 75.6 p -81.82 156.44 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.413 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 51' ' ' ALA . 1.7 p30 -51.68 -46.53 63.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.741 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.615 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.08 -38.58 68.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.21 -27.23 35.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.501 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -85.01 -12.05 54.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.615 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.15 -18.75 65.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.099 179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 43.7 mtmt 57.24 64.34 1.64 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.571 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.52 -43.99 7.6 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.715 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -142.43 172.93 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.642 0.258 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HD12 ' A' ' 57' ' ' ILE . 52.0 m -109.46 140.84 42.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.398 -179.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.9 m0 -63.03 139.03 58.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.931 179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -157.2 -162.33 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -76.5 -58.38 3.32 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.526 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -69.01 -42.44 76.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.0 p -54.62 -36.28 64.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.072 0.463 . . . . 0.0 109.863 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.7 mt -70.23 -33.96 72.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.118 179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.9 mtp -60.7 -56.89 15.8 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.857 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 7.2 mm-40 -60.06 -30.78 69.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.16 0.505 . . . . 0.0 109.776 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -78.23 -27.68 47.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.242 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 HD12 HD11 ' A' ' 95' ' ' ILE . 7.6 mt -77.54 -22.94 50.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.109 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.3 pp20? -96.14 -11.47 26.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.985 0.421 . . . . 0.0 110.526 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.671 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.7 p-10 -165.1 63.68 0.98 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.601 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -47.57 -36.85 25.53 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.91 2.407 . . . . 0.0 112.724 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -79.83 -47.97 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.871 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -66.23 -19.17 65.75 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 0.0 111.505 -178.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -75.59 -57.21 4.02 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.39 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.3 mt -127.16 73.15 77.08 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.871 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.21 127.27 4.01 Favored 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 122.919 2.413 . . . . 0.0 112.296 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.498 ' O ' HG21 ' A' ' 49' ' ' THR . . . 117.05 -28.48 7.27 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.41 140.59 39.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.675 0.274 . . . . 0.0 110.659 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.435 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -88.82 91.27 8.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.67 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 16.1 ttt -175.25 98.84 0.08 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.45 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.519 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.3 mp -131.99 92.85 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.379 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -127.18 -71.97 0.66 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.579 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.61 120.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.423 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.9 176.98 48.51 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.533 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -90.14 161.92 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.533 ' N ' HG22 ' A' ' 85' ' ' ILE . 91.2 mttt -107.85 -68.11 0.92 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.727 -179.23 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -79.58 162.86 25.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.184 0.516 . . . . 0.0 111.475 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.1 tttt -70.91 -54.71 10.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.325 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.414 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 39.5 p -50.76 -26.36 5.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.511 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -67.38 -40.16 85.68 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.617 ' O ' HD12 ' A' ' 95' ' ' ILE . 2.6 mtm105 -75.82 -48.7 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.166 179.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -58.38 -53.45 58.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.171 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 89' ' ' THR . 1.4 m-20 -59.24 -49.48 77.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.984 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.4 tp -57.34 -38.54 74.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.351 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.648 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.44 -29.5 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.537 -179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.96 -36.3 81.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -75.13 -50.24 16.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.026 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.8 mt -51.08 -23.57 3.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.34 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -80.14 -51.77 8.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.0 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -73.21 -20.05 60.95 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.89 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.19 -32.02 21.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.681 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.7 p -87.66 -9.88 52.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.12 0.486 . . . . 0.0 110.022 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.52 -25.88 22.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.307 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.043 -0.98 . . . . 0.0 110.575 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.657 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.793 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.425 ' C ' ' N ' ' A' ' 4' ' ' GLU . 3.1 m-20 -148.68 85.15 1.49 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 110.759 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 p -45.41 -20.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.279 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 2' ' ' ASP . 32.3 mm-40 -73.16 -58.66 3.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -70.31 -20.26 63.03 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.3 -34.89 69.28 Favored Glycine 0 N--CA 1.453 -0.22 0 N-CA-C 109.131 -1.588 . . . . 0.0 109.131 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -68.67 -42.54 77.71 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.196 -0.502 . . . . 0.0 109.918 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' O ' HG22 ' A' ' 11' ' ' VAL . 4.1 tmmm? -58.6 -50.74 72.71 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.248 0.547 . . . . 0.0 110.717 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 85.3 mt -63.73 -26.24 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.559 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.516 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -76.23 -52.2 10.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.474 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.9 m -54.23 -30.72 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.369 . . . . 0.0 111.21 -178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -95.83 -24.28 16.53 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -178.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 15.9 mmtt -101.58 -63.1 1.17 Allowed 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -86.41 -36.38 19.18 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -176.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.93 -26.84 1.87 Allowed 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.011 -0.676 . . . . 0.0 110.644 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -46.85 -66.65 0.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.596 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.565 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -117.51 47.22 1.57 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -178.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.565 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.5 m-70 -154.39 -177.41 6.44 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.923 179.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -137.2 -39.04 0.6 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.663 -179.429 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.516 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.4 m 42.19 32.66 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.762 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.0 pt-20 -130.97 116.01 17.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.008 0.432 . . . . 0.0 110.481 179.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -46.11 147.91 0.96 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.9 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.64 28.28 15.07 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.419 -0.673 . . . . 0.0 111.419 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.37 -142.38 7.53 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -151.64 112.27 4.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.805 0.336 . . . . 0.0 110.237 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 123.82 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.804 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -124.02 104.46 8.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.036 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.462 ' O ' HG22 ' A' ' 28' ' ' THR . 7.7 m 63.14 27.57 15.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.24 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.16 159.74 11.75 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.11 169.4 21.52 Favored 'Trans proline' 0 C--N 1.309 -1.55 0 C-N-CA 122.789 2.326 . . . . 0.0 112.093 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.642 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 6.0 t-20 -99.44 129.92 45.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.097 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 32' ' ' LEU . 8.2 mt -79.12 36.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.519 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 62.9 m170 -55.14 142.06 32.38 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.192 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 28.49 38.54 0.01 OUTLIER Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.735 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -49.69 -57.8 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.047 0.451 . . . . 0.0 111.412 -179.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.53 ' CE2' HD12 ' A' ' 64' ' ' LEU . 27.5 m-85 -53.45 93.52 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.687 -178.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.47 -27.57 2.84 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 120.89 -0.671 . . . . 0.0 112.722 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.6 mtm180 -87.17 147.05 25.77 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 117.299 0.55 . . . . 0.0 111.617 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.56 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 9.7 mmtm -67.84 170.05 8.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.743 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 52' ' ' ASN . 12.4 p -67.22 147.37 53.14 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.17 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.478 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.1 50.79 9.06 Favored Glycine 0 CA--C 1.52 0.358 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.543 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 10.4 tt0 -109.6 -7.72 15.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.751 0.31 . . . . 0.0 110.77 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.551 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -83.27 116.74 65.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.293 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.36 36.8 0.63 Allowed 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.534 2.156 . . . . 0.0 112.293 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.98 -68.58 0.79 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 47' ' ' THR . 15.2 t80 -93.02 155.25 17.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.751 0.31 . . . . 0.0 110.681 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.439 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 6.2 m -71.11 83.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.196 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 24.6 m-85 -60.85 152.62 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.148 -179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 44.5 p -83.87 155.27 23.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.45 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.1 m-20 -50.29 -40.2 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -56.49 -41.35 76.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 40' ' ' THR . 4.6 m-20 -80.85 -26.92 36.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -84.43 -10.78 57.21 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.603 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.36 -19.17 65.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.211 179.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.5 mttp 55.59 64.28 1.8 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.479 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.82 -42.7 5.63 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.58 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.26 179.82 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.624 0.25 . . . . 0.0 110.362 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.58 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.7 m -121.31 140.59 51.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.983 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.635 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.5 m0 -63.61 139.0 58.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.998 179.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' A' ' 63' ' ' THR . 47.5 mtmt -157.87 -163.21 1.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.36 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.611 -0.435 . . . . 0.0 110.387 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -68.52 -41.28 80.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.952 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.581 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.6 p -56.54 -36.46 69.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.011 0.434 . . . . 0.0 109.859 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.8 HD13 ' O ' ' A' ' 301' ' ' HOH . 3.5 mt -69.26 -33.64 73.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.23 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.2 mtp -59.6 -56.94 15.59 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.974 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 41.8 mm-40 -60.48 -30.97 70.02 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -77.71 -27.0 50.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.132 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.631 HD12 HD11 ' A' ' 95' ' ' ILE . 9.1 mt -80.02 -22.38 42.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.589 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' A' ' 69' ' ' GLU . 6.9 tt0 -95.71 -10.13 30.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.135 0.493 . . . . 0.0 109.871 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.552 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -171.4 69.08 0.47 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.421 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.64 -34.29 34.24 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 123.01 2.473 . . . . 0.0 112.745 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -81.78 -48.1 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.852 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -63.26 -21.09 66.02 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.31 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -75.82 -57.06 4.11 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.426 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.0 mt -128.06 72.45 79.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.991 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.7 127.0 4.47 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.892 2.394 . . . . 0.0 112.263 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.34 -28.61 7.11 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.694 -0.963 . . . . 0.0 110.694 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 12.5 t -55.36 143.47 28.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.635 0.255 . . . . 0.0 110.418 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 27.9 tptt -89.79 90.66 8.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.941 0.4 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.0 ttt -176.71 95.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.444 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -130.34 83.82 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.459 ' CG ' ' N ' ' A' ' 83' ' ' ALA . 6.3 t80 -116.9 -83.33 0.64 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.451 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.459 ' N ' ' CG ' ' A' ' 82' ' ' PHE . . . -158.06 123.18 4.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.614 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.56 175.33 54.32 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -89.09 161.85 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.522 ' N ' HG22 ' A' ' 85' ' ' ILE . 49.7 mtmt -105.04 -69.1 0.83 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.476 -179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.4 mtmm -81.24 162.55 23.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.052 0.453 . . . . 0.0 111.321 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -71.12 -51.66 23.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.369 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 43.2 p -52.13 -26.38 11.15 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.419 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -67.77 -39.45 84.1 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.567 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.2 mtt180 -74.91 -51.22 14.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.895 178.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.24 -53.55 55.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.153 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.61 -50.73 72.16 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.6 tp -56.29 -37.82 70.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.414 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.631 HD11 HD12 ' A' ' 68' ' ' LEU . 5.0 mt -74.01 -30.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.334 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.13 -36.7 80.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -74.15 -52.8 11.42 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.815 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.2 mt -48.45 -23.05 0.83 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.21 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.3 -49.75 11.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.871 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.79 -21.05 60.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.761 0.315 . . . . 0.0 110.793 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.471 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -31.06 21.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.895 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 98' ' ' LEU . 60.5 p -88.67 -4.55 58.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.114 0.483 . . . . 0.0 110.188 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.95 -24.56 16.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.195 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.468 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.635 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.8 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.435 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' C ' ' N ' ' A' ' 4' ' ' GLU . 8.2 m-20 -106.69 85.82 2.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.839 0.352 . . . . 0.0 110.758 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -47.72 -18.79 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.381 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 2' ' ' ASP . 69.1 mm-40 -73.63 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.78 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -71.89 -19.73 61.89 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.32 -32.75 62.2 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -68.93 -43.62 74.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.146 -0.527 . . . . 0.0 109.82 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.31 -44.61 95.29 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.508 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 67.5 mt -68.28 -23.21 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.897 -179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.524 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -81.93 -52.47 7.04 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.557 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.456 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.91 -30.93 29.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.296 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.13 -25.34 15.9 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 19.6 ttmt -101.67 -64.97 1.01 Allowed 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.6 m -81.87 -37.58 26.71 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.59 -26.9 1.62 Allowed 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.199 -0.601 . . . . 0.0 110.675 -178.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -47.25 -60.03 2.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.473 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.14 52.09 1.62 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.359 -179.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.473 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 45.3 m-70 -156.94 -176.28 5.89 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.909 179.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -138.98 -43.24 0.47 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.353 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 19' ' ' THR . 5.5 m 42.67 20.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.113 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.539 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -108.26 115.48 30.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.063 0.459 . . . . 0.0 110.22 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -54.86 130.86 42.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.658 -179.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.22 28.57 63.85 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.2 -142.24 11.18 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -147.69 134.05 19.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.11 130.25 43.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.455 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.53 121.99 35.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m 44.17 27.55 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.086 0.469 . . . . 0.0 110.13 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.98 157.31 10.92 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -70.8 160.75 48.4 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.575 2.184 . . . . 0.0 112.122 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 303' ' ' HOH . 8.8 p30 -81.82 158.97 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.843 179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.7 mt -115.92 35.93 4.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.698 0.285 . . . . 0.0 110.297 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 26.1 m170 -66.34 139.43 58.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.216 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 39.25 27.14 0.07 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.219 -1.153 . . . . 0.0 110.219 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.776 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.7 tp -42.63 -57.66 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.218 0.532 . . . . 0.0 110.949 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.525 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.2 m-85 -55.58 89.74 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.12 -24.22 2.24 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.736 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 29.1 mtm180 -88.1 157.67 18.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.216 0.531 . . . . 0.0 111.754 -178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.614 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 0.4 OUTLIER -83.49 151.49 25.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.821 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.484 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 22.9 p -49.38 141.48 8.86 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.719 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 47.94 51.21 19.42 Favored Glycine 0 CA--C 1.522 0.504 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.632 179.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.614 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 12.4 tt0 -112.18 -19.02 12.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.114 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -68.91 120.77 78.39 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.393 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -78.81 108.06 2.36 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 122.271 1.981 . . . . 0.0 112.055 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 169.47 -81.86 0.09 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -70.89 151.35 44.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.692 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.3 m -73.63 83.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.535 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 8.4 m-85 -57.89 152.16 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.763 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.0 p -82.96 151.31 25.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.401 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -49.76 -38.83 35.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -38.3 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.74 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -80.71 -27.09 37.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.002 0.429 . . . . 0.0 110.066 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -84.64 -13.84 50.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.584 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.607 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.49 -19.02 65.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.238 179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.567 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 44.8 mttt 64.73 64.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.427 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -79.83 -48.08 6.81 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.675 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.6 pp -148.84 -178.91 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.592 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' HD12 ' A' ' 57' ' ' ILE . 3.0 m -113.17 139.56 48.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.556 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.67 135.25 57.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.256 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' N ' ' OG1' ' A' ' 63' ' ' THR . 52.9 mtmt -151.63 -163.66 1.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.42 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.7 tt0 -76.56 -58.48 3.26 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.473 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -67.18 -44.48 79.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.705 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -52.54 -37.15 57.12 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.041 0.448 . . . . 0.0 109.803 179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.8 mt -69.22 -33.27 73.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.237 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 mtp -62.12 -57.21 12.41 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.967 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -59.77 -30.72 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.127 0.489 . . . . 0.0 109.773 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -77.97 -28.28 49.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.16 179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 95' ' ' ILE . 10.3 mt -78.54 -21.57 48.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.93 -179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.1 pt-20 -93.13 -12.3 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 110.556 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.639 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -171.39 66.4 0.43 Allowed Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.229 -179.607 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -47.2 -36.61 22.32 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 123.192 2.595 . . . . 0.0 113.157 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -74.9 -47.79 28.08 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.662 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.639 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 60.0 tttt -63.49 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.82 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.45 -57.31 8.61 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.722 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 31.2 mt -128.54 70.66 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.0 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.516 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 90.9 Cg_exo -40.31 156.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.688 2.259 . . . . 0.0 111.996 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 86.24 -27.0 5.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.0 t -55.19 142.01 32.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.427 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 11.1 tptp -90.32 91.4 8.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.99 0.424 . . . . 0.0 111.337 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.732 ' C ' HD12 ' A' ' 81' ' ' ILE . 16.0 ttt -174.45 95.6 0.09 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.418 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.732 HD12 ' C ' ' A' ' 80' ' ' MET . 2.7 mp -124.32 105.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.205 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -141.57 -76.56 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.455 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -173.24 120.44 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.05 171.2 51.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -82.18 159.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' N ' HG22 ' A' ' 85' ' ' ILE . 30.4 ttpt -102.69 -65.81 0.97 Allowed 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.394 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -85.35 162.34 19.11 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.08 0.467 . . . . 0.0 111.303 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -71.17 -52.65 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.373 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 52.3 p -50.63 -26.8 5.82 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.397 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.29 -39.07 85.94 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 179.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' O ' HD12 ' A' ' 95' ' ' ILE . 9.6 mtt180 -75.01 -50.65 15.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.965 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -56.03 -53.68 54.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.243 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -58.9 -49.19 78.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.935 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.4 tp -57.49 -37.01 72.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.37 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.656 HD11 HD12 ' A' ' 68' ' ' LEU . 5.9 mt -75.55 -30.2 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.434 -179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.27 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -77.81 -45.18 25.19 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.001 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.5 mt -56.04 -23.93 36.38 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.846 0.355 . . . . 0.0 110.265 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -79.2 -55.16 5.3 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.73 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -74.04 -16.32 61.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.634 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -31.02 21.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.411 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 98' ' ' LEU . 46.7 p -90.51 -3.42 57.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.166 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -97.78 -23.75 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.438 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.681 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.824 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.577 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.409 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.4 m-20 -142.51 87.63 2.02 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.934 0.397 . . . . 0.0 110.695 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 p -49.22 -18.26 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.337 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.4 mt-10 -74.23 -58.85 3.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.82 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -71.08 -20.25 62.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.46 -36.0 68.81 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -67.07 -42.81 84.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.167 -0.517 . . . . 0.0 109.865 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -58.26 -49.69 76.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.782 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 78.3 mt -65.7 -22.56 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.126 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 2.8 t80 -81.26 -52.57 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.709 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.1 m -54.21 -31.17 21.59 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.359 -178.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -97.79 -23.61 15.82 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' CD ' HBB1 ' A' ' 201' ' ' HEC . 9.3 ttmm -101.53 -63.9 1.1 Allowed 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.6 m -85.53 -36.1 20.7 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -27.03 1.57 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.647 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -48.48 -61.5 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.37 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 48.4 1.67 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.55 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -156.48 -176.03 5.75 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.024 0.44 . . . . 0.0 110.959 179.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.518 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -141.69 -36.17 0.44 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.336 -179.706 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 19' ' ' THR . 12.3 m 43.0 34.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.275 179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 9.7 pt-20 -137.7 123.51 20.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.897 0.38 . . . . 0.0 110.307 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -68.97 132.95 47.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.47 20.33 64.43 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.31 -131.6 7.33 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -151.54 121.07 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.698 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 124.53 24.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.21 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 29' ' ' GLY . 20.9 mtmt -117.89 132.2 56.45 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.554 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 28' ' ' THR . 11.7 m 37.09 27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.75 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 176.46 157.69 18.19 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.71 166.1 30.07 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.544 2.163 . . . . 0.0 112.362 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.528 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 11.4 p30 -89.28 128.78 35.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' C ' ' NH2' ' A' ' 38' ' ' ARG . 7.1 mt -83.94 36.28 0.55 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.579 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.546 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 64.5 m170 -56.93 117.12 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.733 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.33 45.75 16.28 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 64' ' ' LEU . 8.0 tp -51.24 -57.24 9.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.408 . . . . 0.0 110.687 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.8 m-85 -48.24 92.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.868 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 35' ' ' LEU . . . 132.02 -27.92 3.58 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.5 mtm180 -76.01 140.36 41.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.64 0.257 . . . . 0.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.62 177.52 1.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 57' ' ' ILE . 15.8 p -84.1 135.49 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.0 0.428 . . . . 0.0 111.399 -179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.442 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 54.57 50.96 55.24 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.802 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.418 ' H ' HE21 ' A' ' 42' ' ' GLN . 0.8 OUTLIER -131.21 5.34 4.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.017 0.408 . . . . 0.0 110.695 179.366 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.604 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -71.8 131.39 85.91 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.246 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.37 108.09 2.53 Favored 'Trans proline' 0 N--CA 1.491 1.374 0 C-N-CA 122.296 1.998 . . . . 0.0 112.051 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 162.5 -89.77 0.11 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -70.87 153.53 42.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.946 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.7 m -81.39 85.65 6.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.39 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 46.3 m-85 -57.39 153.71 12.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.805 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.8 p -81.29 155.4 26.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.266 179.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 54' ' ' ASN . 16.4 t0 -50.26 -42.58 52.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.933 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -52.82 59.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 40' ' ' THR . 6.7 t30 -74.14 -24.87 59.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.717 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -84.33 -9.93 58.03 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.86 -18.59 65.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.055 179.621 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.555 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 8.1 mtmp? 56.78 64.38 1.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.611 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -83.22 -42.91 7.75 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.734 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -146.03 169.58 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.74 0.305 . . . . 0.0 110.404 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 57' ' ' ILE . 22.1 m -104.44 140.93 37.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.998 0.428 . . . . 0.0 111.563 -179.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.445 ' CE2' HG22 ' A' ' 40' ' ' THR . 76.9 m95 -64.28 143.28 58.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.04 179.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.67 -161.54 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -75.69 -57.96 3.57 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.432 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -68.45 -47.31 67.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.998 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 67.8 p -50.47 -36.41 33.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.039 0.447 . . . . 0.0 109.849 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 35' ' ' LEU . 4.3 mt -68.55 -36.44 78.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.908 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -58.24 -57.15 14.15 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.103 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 29.5 mt-10 -60.49 -29.65 69.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.038 0.447 . . . . 0.0 110.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 46.9 t80 -78.37 -27.21 46.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.65 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.1 mt -76.62 -23.87 53.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.745 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -95.82 -8.95 32.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.075 0.464 . . . . 0.0 110.554 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.5 p-10 -167.06 68.43 0.95 Allowed Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.264 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.401 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 50.6 Cg_exo -49.77 -45.35 32.31 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 123.087 2.525 . . . . 0.0 113.263 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.669 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.7 tppp? -75.84 -47.87 23.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.977 -178.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -60.03 -21.65 61.64 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.453 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -74.37 -57.17 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.218 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.0 mt -125.39 72.74 66.89 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.877 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -41.68 129.4 3.83 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.754 2.303 . . . . 0.0 112.522 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.45 -32.68 5.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.3 t -55.42 145.65 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 0.0 OUTLIER -94.09 91.29 6.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.867 0.365 . . . . 0.0 110.802 -179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.736 ' C ' HD12 ' A' ' 81' ' ' ILE . 13.6 ttt -169.54 95.76 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.7 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD12 ' C ' ' A' ' 80' ' ' MET . 3.1 mp -127.64 123.28 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.151 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -160.32 -76.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.676 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.1 118.94 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.621 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 171.33 54.15 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -81.93 158.92 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.601 0.238 . . . . 0.0 110.378 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.465 ' N ' HG22 ' A' ' 85' ' ' ILE . 90.4 mttt -102.03 -68.44 0.82 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.518 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -82.21 162.62 22.31 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.083 0.468 . . . . 0.0 111.296 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -71.13 -51.99 21.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.306 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -51.75 -26.51 9.69 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.247 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -68.27 -36.44 79.4 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -77.02 -50.16 13.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.82 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -57.01 -53.41 58.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.935 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -57.68 -50.03 74.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.944 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.9 tp -57.39 -35.99 70.7 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.139 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 HD12 ' A' ' 68' ' ' LEU . 22.4 mt -76.61 -29.07 18.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.42 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.11 -35.03 79.44 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -77.17 -44.3 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.755 179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 301' ' ' HOH . 11.8 mt -55.84 -23.48 30.82 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -79.64 -53.44 6.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -73.79 -18.58 60.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 0.0 110.692 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.44 -30.98 21.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.615 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 98' ' ' LEU . 48.6 p -89.56 -9.01 51.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.922 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -25.95 23.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.179 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.743 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.678 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.819 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.462 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 4' ' ' GLU . 68.4 m-20 -106.06 87.93 2.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.846 0.355 . . . . 0.0 110.647 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -50.06 -17.86 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.321 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 2' ' ' ASP . 49.0 mm-40 -73.51 -58.78 3.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -70.9 -21.16 62.42 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.47 -33.59 67.89 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -69.1 -42.57 75.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.238 -0.481 . . . . 0.0 109.756 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.45 -46.45 90.03 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.992 0.425 . . . . 0.0 110.592 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 61.3 mt -67.7 -22.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 11' ' ' VAL . 3.2 t80 -81.58 -52.52 7.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.569 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.8 m -56.51 -30.69 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.844 0.355 . . . . 0.0 111.35 -178.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -95.63 -26.33 15.79 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 4.2 tppt? -101.62 -64.33 1.06 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.583 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -81.02 -37.44 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.65 -27.04 1.71 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.654 -178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -47.1 -61.2 2.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.283 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.479 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.61 51.47 1.61 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.364 -179.39 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.9 m-70 -156.42 -176.56 6.03 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.99 0.424 . . . . 0.0 111.045 179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.502 HG21 ' H ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -143.6 -38.36 0.32 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.432 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD12 ' A' ' 32' ' ' LEU . 15.1 m 42.57 34.05 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.016 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.1 pt-20 -134.9 123.26 23.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.844 0.354 . . . . 0.0 110.409 179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -54.72 137.72 43.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.9 30.87 76.49 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.42 -146.69 20.97 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' H ' HG21 ' A' ' 19' ' ' THR . 0.0 OUTLIER -139.26 105.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.695 0.283 . . . . 0.0 110.331 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 117.71 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.255 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 29' ' ' GLY . 66.9 mttt -105.94 121.22 43.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.777 -179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.728 ' O ' HG22 ' A' ' 28' ' ' THR . 71.1 m 39.92 27.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 174.88 159.72 21.6 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 165.24 32.77 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.666 2.244 . . . . 0.0 112.162 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.64 ' ND2' ' NE2' ' A' ' 33' ' ' HIS . 5.4 t-20 -87.29 172.67 9.69 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 31' ' ' ASN . 11.3 mt -124.72 41.38 3.52 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.64 ' NE2' ' ND2' ' A' ' 31' ' ' ASN . 28.2 m170 -63.76 141.81 58.63 Favored 'General case' 0 N--CA 1.461 0.115 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.12 30.81 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.759 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.3 tp -42.91 -57.51 2.79 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.154 0.502 . . . . 0.0 111.037 -179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.7 m-85 -56.63 90.24 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.392 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.24 -27.46 2.27 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.574 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.575 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.0 mtm180 -88.03 146.71 25.34 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 117.234 0.517 . . . . 0.0 111.554 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.5 mmtt -67.88 170.71 7.65 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.863 179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.429 HG23 ' O ' ' A' ' 57' ' ' ILE . 14.9 p -68.9 145.44 53.67 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.066 0.46 . . . . 0.0 111.42 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.05 50.68 8.94 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -110.57 -19.11 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.702 0.287 . . . . 0.0 110.73 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.22 120.12 72.45 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.602 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -79.82 87.96 1.48 Allowed 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.364 2.043 . . . . 0.0 112.037 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -166.19 -82.19 0.05 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -70.97 154.91 41.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.634 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.4 m -74.63 80.6 2.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.401 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -59.77 151.64 24.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.3 p -87.54 151.31 23.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.461 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ASN . 2.8 m-20 -47.4 -41.89 20.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.654 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.96 -43.57 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.401 ' ND2' ' O1D' ' A' ' 201' ' ' HEC . 1.1 t30 -80.55 -26.58 37.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.936 0.398 . . . . 0.0 110.175 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -85.03 -9.99 57.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.02 -18.69 65.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.067 179.592 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.8 mtpm? 58.77 64.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.368 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -39.82 6.67 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.716 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -146.78 173.02 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.619 0.247 . . . . 0.0 110.396 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.528 ' N ' HD12 ' A' ' 57' ' ' ILE . 32.0 m -111.97 140.99 46.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.148 -179.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.645 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.3 m0 -62.64 138.09 58.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.737 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.13 -164.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.64 -58.26 3.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.665 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -70.08 -38.76 75.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.948 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.556 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 72.6 p -58.57 -36.78 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.04 0.448 . . . . 0.0 109.906 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.889 HD22 ' O ' ' A' ' 301' ' ' HOH . 3.5 mt -67.51 -37.24 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.848 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.8 mtp -55.81 -56.85 15.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.632 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.8 -28.67 66.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.072 0.463 . . . . 0.0 109.948 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -77.55 -30.2 52.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.312 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 HD21 HMB2 ' A' ' 201' ' ' HEC . 21.8 mt -77.44 -23.29 50.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.231 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.524 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 5.7 pt-20 -93.59 -10.72 33.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.936 0.398 . . . . 0.0 110.628 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.624 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -174.21 71.55 0.33 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.047 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -50.66 -36.7 51.56 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.113 2.542 . . . . 0.0 113.31 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.523 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.2 tppt? -79.4 -48.05 14.67 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.624 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 23.1 ttpp -60.26 -28.04 67.73 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.623 -178.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -69.88 -57.08 5.48 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.552 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.3 mt -126.5 72.04 72.83 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.013 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.93 128.57 4.02 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.933 2.422 . . . . 0.0 112.287 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 115.81 -29.99 6.86 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.676 -0.97 . . . . 0.0 110.676 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 t -55.42 143.43 28.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.706 0.289 . . . . 0.0 110.415 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 3.8 mmtp -90.88 91.35 8.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.975 0.417 . . . . 0.0 110.619 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 13.3 ttt -173.96 95.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.305 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.523 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.4 mp -134.04 92.76 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.527 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -125.21 -67.34 0.9 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.554 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -178.12 110.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.556 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.85 -172.66 5.29 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 86' ' ' LYS . 7.0 mt -105.82 161.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.727 0.299 . . . . 0.0 110.26 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' N ' ' CG2' ' A' ' 85' ' ' ILE . 12.9 tptm -103.48 -54.53 2.57 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.955 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -90.14 160.81 16.07 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.135 0.493 . . . . 0.0 111.546 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 91' ' ' ARG . 29.4 ttpt -71.25 -54.46 10.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.263 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.5 p -48.74 -28.72 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.341 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -64.72 -40.12 94.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.524 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 10.9 mtt180 -77.14 -46.86 22.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.451 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.24 -53.25 60.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.361 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -57.53 -49.01 77.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 109.928 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 tp -59.1 -38.94 80.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.48 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.7 mt -73.19 -29.14 27.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.404 -179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.04 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 47.7 t80 -74.78 -34.47 62.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.51 179.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.605 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.1 mt -60.61 -47.04 87.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.881 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 46.5 mtpt -58.77 -53.0 63.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.214 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -72.46 -24.51 61.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.342 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.14 -23.49 26.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.728 0.299 . . . . 0.0 111.131 -179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.513 HG23 ' O ' ' A' ' 98' ' ' LEU . 36.8 p -94.67 -0.12 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.094 0.473 . . . . 0.0 110.039 -179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -98.97 -23.95 15.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.219 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.462 179.864 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.658 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.889 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.462 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.601 -1.399 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.5 m-20 -100.63 87.84 3.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.3 p -48.43 -18.56 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 2' ' ' ASP . 27.4 mm-40 -74.41 -58.68 3.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -72.54 -19.08 61.57 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.7 -36.26 61.99 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 109.104 -1.599 . . . . 0.0 109.104 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -68.42 -41.68 80.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.168 -0.516 . . . . 0.0 109.822 179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -60.72 -47.79 84.68 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.65 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 68.6 mt -66.33 -22.81 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.5 t80 -80.23 -52.43 7.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.554 -179.089 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.6 m -55.11 -31.56 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.789 0.328 . . . . 0.0 111.363 -178.762 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -95.46 -25.26 16.31 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -178.342 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 0.9 OUTLIER -101.68 -63.53 1.14 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.786 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.548 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.53 -36.64 22.04 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.9 -27.04 1.93 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.813 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -47.62 -56.19 7.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.272 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -128.77 52.88 1.9 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.344 -179.476 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 54.6 m-70 -158.9 -176.35 5.82 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.948 0.404 . . . . 0.0 111.07 179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.18 -39.47 0.48 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.489 -179.636 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.509 HG12 HD12 ' A' ' 32' ' ' LEU . 15.4 m 41.63 32.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.784 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.3 pt-20 -133.41 117.52 17.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.978 0.418 . . . . 0.0 110.537 179.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -56.15 143.35 33.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.755 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.46 21.37 70.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.7 -140.77 9.4 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.3 pttt -151.73 112.87 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.818 0.342 . . . . 0.0 110.46 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.58 128.27 31.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.641 -179.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -137.1 128.61 28.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.375 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 44.52 27.5 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.399 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.37 162.24 18.67 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.27 167.63 26.38 Favored 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.653 2.235 . . . . 0.0 112.294 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' O ' ' O ' ' A' ' 303' ' ' HOH . 11.4 p30 -94.51 121.73 36.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.26 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 HG12 ' A' ' 20' ' ' VAL . 6.8 mt -77.9 31.12 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.242 -179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.577 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.5 m170 -60.12 137.59 58.07 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.015 179.536 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.43 29.31 0.02 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.556 -1.018 . . . . 0.0 110.556 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.744 ' CD2' HD11 ' A' ' 64' ' ' LEU . 8.1 tp -41.46 -57.55 2.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.127 0.489 . . . . 0.0 111.004 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 64' ' ' LEU . 13.3 m-85 -56.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.601 -179.087 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.72 -27.68 2.46 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.667 178.782 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.6 mtm180 -87.26 158.2 19.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 117.353 0.576 . . . . 0.0 111.46 -178.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.9 mmtt -79.35 165.49 23.08 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.639 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.461 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 4.7 p -62.67 144.04 56.72 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.022 0.439 . . . . 0.0 111.513 -179.617 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 45.05 50.55 9.02 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 179.564 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.558 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 17.6 tt0 -115.26 -18.97 10.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.606 0.241 . . . . 0.0 111.004 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.12 124.82 85.3 Favored Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -78.75 112.96 3.21 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.276 1.984 . . . . 0.0 112.088 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 161.55 -82.02 0.13 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.408 179.789 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -71.1 152.75 43.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.934 -179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 47' ' ' THR . 9.4 t -77.94 84.16 4.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.492 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 18.0 m-85 -60.07 150.4 29.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.966 -179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.435 HG21 ' O ' ' A' ' 77' ' ' GLY . 79.3 p -81.58 159.7 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.33 179.524 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 54' ' ' ASN . 22.8 t0 -53.99 -42.7 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.833 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.611 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.98 -42.13 75.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 t30 -81.02 -25.4 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -85.12 -10.63 56.58 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.611 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.4 -19.27 65.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.324 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 21.6 mttt 57.16 64.1 1.72 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.391 -179.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.36 -42.16 5.93 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.596 -0.602 . . . . 0.0 111.596 -179.557 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.626 HD12 ' N ' ' A' ' 58' ' ' THR . 2.3 pp -139.31 -178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 0.0 110.837 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.626 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.6 m -118.68 140.93 49.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.659 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.0 m0 -64.94 134.0 53.0 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.4 mtmt -153.41 -163.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.677 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -75.6 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.614 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.79 -44.64 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.787 -179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.55 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.3 p -51.91 -39.14 58.6 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.898 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.1 mt -66.11 -37.31 85.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.4 mtp -54.6 -56.53 17.99 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -57.9 -29.25 64.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.91 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -77.5 -29.48 52.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.104 179.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.6 HD21 HMB2 ' A' ' 201' ' ' HEC . 22.2 mt -79.66 -25.65 41.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.552 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 3.7 pt-20 -90.25 -6.29 55.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.1 0.476 . . . . 0.0 110.379 -179.716 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 178.16 74.67 0.13 Allowed Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.651 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -51.77 -32.68 47.02 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 122.876 2.384 . . . . 0.0 112.56 -179.347 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.608 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 3.8 tppt? -82.81 -47.96 11.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.964 -178.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -57.95 -34.13 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.01 -178.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.1 -56.93 9.01 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.374 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.9 mt -128.25 70.32 78.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.085 179.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.6 Cg_exo -41.6 137.67 2.59 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.893 2.395 . . . . 0.0 112.37 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' O ' HG21 ' A' ' 49' ' ' THR . . . 105.14 -28.62 13.88 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -179.747 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.3 t -55.51 135.64 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.319 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 0.5 OUTLIER -77.82 91.32 4.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.674 -179.735 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.409 ' C ' HD12 ' A' ' 81' ' ' ILE . 11.0 ttt -177.23 100.96 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 179.346 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.608 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -138.63 80.46 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.291 179.749 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -112.74 -71.05 0.77 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.61 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -174.84 114.56 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.504 -179.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.51 177.89 11.92 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.3 mm -91.81 159.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' N ' HG22 ' A' ' 85' ' ' ILE . 43.6 tttm -98.96 -68.8 0.79 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.703 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -83.57 162.65 20.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.124 0.488 . . . . 0.0 111.542 -178.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -71.1 -51.55 24.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.252 179.573 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.7 p -52.03 -26.94 11.97 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.29 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.68 -36.85 81.44 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.552 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.2 mtt180 -77.08 -48.85 16.69 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.978 178.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.67 -53.18 61.13 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 1' ' ' GLY . 2.4 m-20 -58.87 -52.13 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.989 179.217 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.3 tp -55.59 -37.66 68.39 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.136 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.6 mt -76.22 -29.22 19.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.464 -179.301 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.03 77.08 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.403 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 70.7 t80 -75.27 -34.92 61.4 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 178.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 95' ' ' ILE . 34.9 mt -60.24 -43.12 96.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.678 179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -63.13 -51.89 64.72 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.25 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -73.31 -21.61 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.06 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.15 -29.39 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.922 0.391 . . . . 0.0 110.714 -179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 98' ' ' LEU . 34.8 p -89.43 -3.21 58.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.159 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.76 -24.63 16.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.144 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.477 179.924 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.684 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.898 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.45 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.448 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.541 -1.423 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.6 m-20 -130.93 87.07 2.43 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.793 0.33 . . . . 0.0 110.569 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 p -48.31 -17.65 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.29 179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 2' ' ' ASP . 18.1 mm-40 -74.09 -58.8 3.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.802 -179.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -73.43 -18.68 61.11 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.12 -35.73 60.72 Favored Glycine 0 CA--C 1.517 0.189 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 178.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -69.31 -40.82 77.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.209 -0.495 . . . . 0.0 109.681 179.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.7 tmmm? -58.85 -52.23 66.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.05 0.452 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 64.1 mt -62.83 -26.56 41.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.905 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.1 t80 -76.15 -52.23 10.53 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -178.709 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.9 m -55.06 -30.0 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -178.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -95.25 -25.7 16.25 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.348 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.6 OUTLIER -101.39 -64.86 1.01 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.345 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.496 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -82.77 -37.91 23.91 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.119 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.83 -26.89 1.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.729 -179.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -47.46 -66.59 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.686 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.589 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.33 46.33 1.61 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.589 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.8 m-70 -154.42 -177.26 6.34 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.267 179.389 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.572 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -137.22 -40.95 0.58 Allowed 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.233 -179.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 19' ' ' THR . 11.9 m 44.81 20.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.671 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -112.56 111.49 22.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.039 0.447 . . . . 0.0 110.376 179.398 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.39 115.9 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.584 -179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.59 14.98 48.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.28 -139.32 9.32 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.53 118.84 7.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.993 0.425 . . . . 0.0 110.752 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -54.2 127.23 26.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.577 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 29' ' ' GLY . 1.5 ttmp? -122.02 126.39 48.41 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.533 ' O ' HG22 ' A' ' 28' ' ' THR . 18.2 m 40.31 27.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.104 0.478 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 168.06 157.09 10.72 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -69.38 177.55 5.2 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.587 2.191 . . . . 0.0 112.2 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.441 ' O ' ' O ' ' A' ' 303' ' ' HOH . 10.7 p30 -98.97 160.4 14.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.968 179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.8 mt -114.21 39.65 2.7 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.727 0.299 . . . . 0.0 110.283 179.712 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.556 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 30.4 m170 -66.38 143.58 57.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.31 179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.93 32.28 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.807 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -48.86 -57.95 5.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.041 0.448 . . . . 0.0 111.321 -179.198 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' HD12 ' A' ' 64' ' ' LEU . 19.3 m-85 -55.5 90.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.398 -179.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.09 -25.98 2.35 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.994 178.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.2 mtm180 -91.31 146.57 23.71 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.34 0.57 . . . . 0.0 111.588 -178.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.584 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 10.5 mmtm -65.64 170.3 5.29 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.697 179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 19.8 p -69.26 144.53 53.61 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.045 0.45 . . . . 0.0 111.593 -179.536 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 50.11 51.17 31.32 Favored Glycine 0 CA--C 1.523 0.582 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.515 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.507 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.5 tt0 -113.83 -19.17 11.6 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.314 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -63.32 123.49 80.88 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.419 -179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -79.55 94.8 1.04 Allowed 'Trans proline' 0 N--CA 1.492 1.388 0 C-N-CA 122.326 2.018 . . . . 0.0 112.071 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.47 -81.91 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -70.86 150.92 45.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.902 0.382 . . . . 0.0 110.865 -179.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.5 m -75.41 83.99 2.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.482 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.519 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 21.4 m-85 -58.95 148.47 30.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.726 -179.772 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 77' ' ' GLY . 62.6 p -80.45 153.14 28.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.503 179.827 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.78 -40.23 20.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -59.35 -39.18 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -81.17 -25.99 36.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.277 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -85.84 -11.56 53.05 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.676 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.81 -18.9 65.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.132 179.792 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 90.8 mttt 54.49 64.17 1.91 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.347 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -84.63 -42.25 7.39 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -179.76 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.668 HD12 ' N ' ' A' ' 58' ' ' THR . 2.1 pp -140.58 178.84 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.684 0.278 . . . . 0.0 110.299 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.668 ' N ' HD12 ' A' ' 57' ' ' ILE . 23.0 m -118.15 141.03 48.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.4 m0 -62.5 136.76 58.05 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.042 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.8 mtmt -155.16 -160.76 1.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.553 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 6.1 tp10 -76.33 -58.53 3.23 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.721 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 72.8 mm-40 -69.38 -43.46 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.931 -179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.569 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 68.2 p -52.59 -36.99 57.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 109.887 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.9 mt -70.18 -34.98 73.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.05 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.446 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 22.3 mtp -61.19 -56.91 15.31 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 -179.607 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -59.74 -30.85 69.12 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -78.29 -27.34 47.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.294 179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 95' ' ' ILE . 8.1 mt -80.96 -11.59 59.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.94 -179.37 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.07 -12.59 19.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.92 0.39 . . . . 0.0 110.415 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.95 67.52 0.32 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.218 -179.842 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -46.96 -37.66 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.286 2.657 . . . . 0.0 113.281 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -47.51 49.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.611 -178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.602 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 22.8 ttpt -63.66 -34.58 78.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.676 -178.693 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -64.4 -57.56 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.901 -179.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.0 mt -130.02 71.48 82.19 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.236 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 93.7 Cg_exo -39.54 158.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.757 2.305 . . . . 0.0 112.164 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.668 ' O ' HG21 ' A' ' 49' ' ' THR . . . 85.26 -28.59 4.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 -179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 78' ' ' THR . 13.5 t -55.25 134.76 49.99 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.696 0.284 . . . . 0.0 110.39 179.829 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.5 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 65.3 mttt -81.0 91.09 6.01 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.819 -179.873 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 9.4 ttt -177.11 95.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.284 179.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.4 mp -132.93 89.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.506 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -124.08 -72.33 0.68 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.46 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -169.58 130.25 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -82.23 173.84 53.31 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -87.8 160.94 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.711 0.291 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.508 ' N ' HG22 ' A' ' 85' ' ' ILE . 5.6 mttp -102.45 -70.65 0.75 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.422 -179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -80.68 160.95 24.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.026 0.441 . . . . 0.0 111.294 -178.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -71.39 -45.71 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.102 179.534 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.5 p -56.97 -25.88 58.93 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.4 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -67.4 -39.95 85.6 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.634 ' O ' HD12 ' A' ' 95' ' ' ILE . 14.9 mtt180 -74.3 -50.33 19.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.729 178.757 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -55.35 -53.7 52.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.218 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -58.85 -49.83 76.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.899 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.1 tp -57.43 -35.61 70.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.411 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.665 HD11 HD12 ' A' ' 68' ' ' LEU . 4.3 mt -76.71 -30.36 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.305 -179.235 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.33 80.29 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 67.3 t80 -74.38 -55.67 5.73 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.665 179.019 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 9.0 mt -45.5 -22.52 0.15 Allowed 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.256 179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.509 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 40.5 mtmt -79.77 -55.28 5.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.732 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -71.21 -19.06 62.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.827 -179.573 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.28 -31.49 21.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.484 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.9 p -90.89 -2.89 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -98.82 -23.54 15.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.393 -179.9 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.474 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.632 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.876 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.441 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.426 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 4' ' ' GLU . 1.1 m-20 -120.52 86.75 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.923 0.392 . . . . 0.0 110.524 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.9 p -46.45 -19.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.413 179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 2' ' ' ASP . 31.8 mm-40 -73.2 -58.72 3.11 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.736 -179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -72.41 -19.05 61.66 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.89 -35.74 65.45 Favored Glycine 0 CA--C 1.519 0.343 0 N-CA-C 109.247 -1.541 . . . . 0.0 109.247 178.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -69.63 -42.21 74.62 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.254 -0.473 . . . . 0.0 109.909 179.049 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.42 -48.81 80.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.045 0.45 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 66.5 mt -65.8 -25.02 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.796 -179.675 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -77.31 -52.44 9.18 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.893 -178.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . 33.5 m -56.48 -29.47 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.431 -178.651 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -95.47 -26.22 15.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.463 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 37.2 mttt -101.37 -63.87 1.1 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.063 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.558 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -83.99 -35.45 23.9 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 -176.215 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' VAL . . . -47.68 -27.14 1.8 Allowed 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.974 -0.69 . . . . 0.0 110.397 -179.1 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -48.88 -60.68 2.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.437 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.5 49.78 1.77 Allowed 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.559 -179.408 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 60.8 m-70 -157.46 -175.77 5.58 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.924 0.393 . . . . 0.0 110.969 179.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.488 HG22 ' CD ' ' A' ' 21' ' ' GLU . 0.2 OUTLIER -142.68 -38.63 0.35 Allowed 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.515 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 19' ' ' THR . 16.0 m 41.81 32.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.824 179.877 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.584 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.2 pt-20 -131.89 116.85 17.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 0.0 110.499 179.397 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -47.78 149.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.797 -179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.47 26.62 15.52 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.03 -140.88 4.63 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 mtmt -147.88 100.76 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.29 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.14 123.42 12.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.973 0.416 . . . . 0.0 110.389 -179.914 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -137.39 127.95 26.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m 46.75 27.31 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.352 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.19 156.45 9.82 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.7 164.56 31.87 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.684 2.256 . . . . 0.0 112.242 179.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 12.6 p30 -90.83 124.3 35.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.188 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 32' ' ' LEU . 6.2 mt -78.68 33.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.306 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.584 ' NE2' ' O ' ' A' ' 21' ' ' GLU . 58.7 m170 -61.5 137.97 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.388 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 37.3 28.13 0.02 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.5 -1.04 . . . . 0.0 110.5 -179.777 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.76 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.7 tp -41.83 -57.3 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.199 0.523 . . . . 0.0 110.926 -179.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.623 ' CE2' HD12 ' A' ' 64' ' ' LEU . 15.0 m-85 -55.63 93.55 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.571 -179.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.59 -28.3 2.44 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.578 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.8 mtm180 -88.27 148.77 24.17 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 117.402 0.601 . . . . 0.0 111.587 -178.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.608 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 32.4 mmtt -69.38 167.07 17.29 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.826 179.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.474 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 3.4 p -63.3 145.5 55.42 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.083 0.468 . . . . 0.0 111.589 -179.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.75 50.68 8.46 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 15.8 tt0 -115.01 -17.97 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.634 0.254 . . . . 0.0 111.017 -179.597 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.35 124.88 87.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.493 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -78.6 105.32 1.94 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 C-N-CA 122.338 2.025 . . . . 0.0 112.135 179.815 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 170.65 -84.58 0.08 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 47' ' ' THR . 33.5 t80 -70.86 155.11 41.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.379 . . . . 0.0 110.995 -179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.521 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 32.7 m -80.29 82.84 6.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.547 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.499 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 24.4 m-85 -57.24 150.58 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.767 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.462 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.6 p -81.6 152.38 27.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.237 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' ASN . 28.1 t0 -44.82 -42.69 8.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.691 -179.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.593 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.99 -51.59 63.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 40' ' ' THR . 1.8 t30 -72.38 -25.75 61.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.012 0.434 . . . . 0.0 110.416 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -84.89 -12.14 54.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.566 179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.593 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.35 -18.87 65.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.306 179.792 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.574 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 34.0 mttt 59.98 64.11 1.33 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.503 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.51 -43.32 5.86 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -139.66 -178.72 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.898 0.38 . . . . 0.0 110.683 -179.685 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.562 ' N ' HD12 ' A' ' 57' ' ' ILE . 73.1 m -119.57 140.58 50.33 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.886 -179.871 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -64.62 136.74 57.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.974 179.405 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.8 mtmt -156.33 -171.23 3.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.976 -0.557 . . . . 0.0 109.644 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -69.1 -58.33 4.22 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -69.13 -43.55 74.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.038 -179.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 64.5 p -54.49 -37.16 64.94 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.908 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.4 mt -66.36 -37.1 84.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.081 179.639 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.8 mtp -55.76 -57.01 13.82 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 26.6 mm-40 -59.24 -29.07 67.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.028 179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -77.91 -29.2 49.97 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.461 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.617 HD21 HMB2 ' A' ' 201' ' ' HEC . 17.4 mt -76.88 -24.66 52.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.426 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.526 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 14.5 pt-20 -96.01 -5.43 41.16 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.808 -179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.632 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -172.58 63.21 0.31 Allowed Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.77 -35.61 24.17 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.67 2.247 . . . . 0.0 112.58 -179.868 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -78.94 -48.05 15.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 112.054 -178.791 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -64.76 -25.7 68.04 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.3 -178.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' N ' HD22 ' A' ' 70' ' ' ASN . 4.0 t80 -69.67 -57.21 5.43 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.467 -179.688 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.9 mt -128.05 71.79 79.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.026 179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 84.5 Cg_exo -42.41 129.74 4.87 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.804 2.336 . . . . 0.0 112.191 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.524 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.6 -33.18 5.06 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.445 -1.062 . . . . 0.0 110.445 -179.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.458 ' OG1' ' CGD' ' A' ' 201' ' ' HEC . 15.0 t -55.72 143.48 30.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.69 0.281 . . . . 0.0 110.542 179.719 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 23.4 mmtm -92.08 91.24 7.72 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.717 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 11.3 ttt -172.5 95.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.104 179.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.1 mp -133.26 80.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.538 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -112.21 -83.12 0.59 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -159.05 110.12 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.579 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.1 -179.74 6.42 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 86' ' ' LYS . 4.8 mm -94.39 157.85 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 85' ' ' ILE . 36.7 mmtt -99.44 -69.63 0.76 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.776 -179.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -82.42 162.74 22.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.198 0.523 . . . . 0.0 111.415 -178.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 91' ' ' ARG . 24.9 ttpt -70.72 -51.96 23.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.27 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.7 p -50.68 -28.26 8.61 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.198 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -67.26 -37.08 82.89 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH1' ' OE1' ' A' ' 69' ' ' GLU . 12.0 mtm180 -77.15 -46.52 23.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.103 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.1 -53.24 60.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -59.68 -49.53 77.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.091 179.268 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.5 tp -58.23 -38.47 76.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.043 179.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.675 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.9 mt -76.33 -27.47 17.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.398 -179.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.76 -34.28 76.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 62.2 t80 -75.04 -35.13 61.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 178.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.675 HD12 ' HA ' ' A' ' 95' ' ' ILE . 26.6 mt -59.69 -44.14 93.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.881 179.239 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.524 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 50.5 mtpt -61.86 -53.01 61.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.19 -179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.46 -22.87 61.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.276 -179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.26 -26.76 24.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.836 -179.66 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 98' ' ' LEU . 33.7 p -91.01 -4.16 56.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.124 0.488 . . . . 0.0 110.047 -179.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -95.44 -22.1 17.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.475 -179.668 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.664 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.908 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 1' ' ' GLY . 77.2 m-20 -148.62 87.76 1.59 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.968 0.413 . . . . 0.0 110.611 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.8 p -47.38 -19.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.344 179.72 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 2' ' ' ASP . 51.8 mt-10 -73.62 -58.93 2.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -70.54 -19.85 62.86 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.54 -35.73 68.1 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 178.548 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -67.29 -42.34 83.93 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.2 tmmm? -59.33 -47.84 83.88 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.125 0.488 . . . . 0.0 110.691 179.787 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.63 -22.38 29.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.968 -179.755 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.57 -52.36 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.56 -179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.461 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.3 m -54.95 -31.25 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 111.423 -178.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -96.27 -24.83 16.03 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.3 tppp? -101.68 -63.9 1.1 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 114.06 1.134 . . . . 0.0 114.06 -177.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.56 -35.75 22.59 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -176.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.15 -26.82 2.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.834 -178.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -45.21 -63.31 0.97 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.697 -179.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.566 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -121.82 50.5 1.42 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.463 -178.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.566 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 9.4 m-70 -157.11 -176.91 6.24 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.988 0.423 . . . . 0.0 111.18 179.422 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.09 -38.16 0.5 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.533 -179.553 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.4 m 42.16 30.08 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.909 179.742 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 15.8 pt-20 -127.08 122.76 35.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.89 0.376 . . . . 0.0 110.229 179.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.7 tptp -52.02 141.8 17.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.944 -179.446 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 55.08 31.1 55.82 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 -138.51 6.36 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.8 pttt -150.41 101.08 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.261 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -57.06 124.82 20.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.667 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' A' ' 18' ' ' HIS . 18.2 pttp -134.37 136.38 43.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.015 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m 45.53 27.26 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 0.0 109.939 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 158.6 151.69 6.17 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.52 172.84 14.27 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.589 2.193 . . . . 0.0 112.158 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.526 ' O ' ' O ' ' A' ' 303' ' ' HOH . 9.5 p30 -91.11 161.21 15.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.826 179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -113.2 38.82 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.711 0.291 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 19.5 m170 -64.9 144.39 57.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.429 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.43 31.13 0.01 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.694 -0.962 . . . . 0.0 110.694 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.79 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.6 tp -47.41 -57.79 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.154 0.502 . . . . 0.0 111.217 -179.342 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 15.6 m-85 -55.6 92.93 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.616 -179.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.84 -25.3 2.95 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.799 178.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.2 mtm180 -90.18 143.81 26.43 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 117.206 0.503 . . . . 0.0 111.588 -178.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.554 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 17.7 mmtm -63.83 172.05 2.44 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.729 179.441 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 p -69.96 146.73 50.92 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.896 0.379 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 48.0 50.88 20.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 179.709 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.529 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 7.9 tt0 -105.27 -19.07 13.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 0.0 110.385 179.909 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.84 133.51 51.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.555 ' O ' ' N ' ' A' ' 46' ' ' PHE . 71.7 Cg_endo -75.4 -100.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.433 0 C-N-CA 122.204 1.936 . . . . 0.0 111.629 179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 44' ' ' PRO . . . 30.92 -88.32 0.01 OUTLIER Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.819 -0.512 . . . . 0.0 111.819 179.539 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 44' ' ' PRO . 33.5 t80 -73.96 154.89 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.99 0.424 . . . . 0.0 111.085 -179.532 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 m -83.0 88.53 6.85 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.497 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.552 ' CD2' ' O1D' ' A' ' 201' ' ' HEC . 19.6 m-85 -59.58 153.38 19.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.86 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.5 p -85.14 151.6 23.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.296 179.677 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.3 m-20 -49.06 -39.55 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.605 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.604 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.73 -42.13 67.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.537 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -80.79 -25.96 37.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.002 179.497 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.48 -10.98 58.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.604 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.19 -19.01 65.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.248 179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 60.0 mttp 55.1 64.37 1.81 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.598 179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.57 -39.63 6.63 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.577 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -143.46 -178.71 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 0.0 110.36 179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.577 ' N ' HD12 ' A' ' 57' ' ' ILE . 24.0 m -121.59 140.8 51.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.04 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.623 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -62.85 138.27 58.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.799 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.577 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.0 mtmt -156.38 -163.23 1.41 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -76.19 -58.4 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.354 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.453 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 65.4 mm-40 -68.59 -43.92 75.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.577 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 74.6 p -52.42 -37.69 57.28 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.775 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.9 mt -69.66 -34.06 73.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.064 179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.453 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 27.1 mtp -61.46 -57.31 12.71 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.115 -179.488 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -61.04 -31.12 70.76 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 3.9 t80 -78.34 -25.27 46.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.442 179.555 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -80.73 -14.42 58.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.988 -179.433 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.2 pt-20 -96.7 -12.41 23.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.387 . . . . 0.0 110.446 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.613 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -173.57 64.91 0.31 Allowed Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -44.38 -38.55 11.65 Favored 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.137 2.558 . . . . 0.0 113.095 -179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 81' ' ' ILE . 0.0 OUTLIER -70.42 -47.67 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.84 -178.802 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.613 ' H ' HD22 ' A' ' 70' ' ' ASN . 21.0 ttpp -66.39 -28.33 68.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.688 -178.696 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.38 -57.06 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.607 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.6 mt -126.65 70.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.064 179.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -41.13 132.12 3.06 Favored 'Trans proline' 0 C--N 1.309 -1.516 0 C-N-CA 122.897 2.398 . . . . 0.0 112.365 -179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 111.04 -28.36 9.89 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 -179.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.9 t -55.55 144.92 24.59 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 20.2 tttt -91.97 91.3 7.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.337 . . . . 0.0 110.789 -179.851 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.711 ' C ' HD12 ' A' ' 81' ' ' ILE . 6.6 ttt -171.19 96.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.711 HD12 ' C ' ' A' ' 80' ' ' MET . 2.9 mp -125.19 112.97 33.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.199 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -150.71 -74.06 0.16 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.731 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.19 125.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.52 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.06 173.49 55.34 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -84.98 161.79 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.532 ' N ' HG22 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -105.21 -63.36 1.24 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.297 -179.317 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -86.52 162.84 17.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 111.631 -178.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -70.52 -55.06 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.314 179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.424 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 36.8 p -52.36 -24.94 8.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.549 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -67.53 -38.61 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.558 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.6 mtt180 -75.93 -50.86 13.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.82 178.821 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -55.12 -53.58 54.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.413 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.6 m-20 -58.94 -49.14 78.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.962 0.41 . . . . 0.0 109.958 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.6 tp -57.1 -36.02 70.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.301 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.673 HD11 HD12 ' A' ' 68' ' ' LEU . 5.1 mt -76.23 -31.16 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.576 -179.002 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -59.63 -37.31 78.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 63.9 t80 -75.26 -49.33 19.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.111 179.395 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 mt -51.47 -24.56 5.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.787 0.327 . . . . 0.0 110.375 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.1 mtpt -78.67 -52.13 8.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.754 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -76.07 -17.18 59.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.804 -179.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.61 -31.0 21.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 98' ' ' LEU . 57.3 p -90.64 -3.92 57.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.101 -179.882 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -96.05 -24.15 16.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.251 179.956 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.47 -179.939 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.623 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.79 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.526 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 4' ' ' GLU . 46.6 m-20 -139.36 83.78 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.008 0.433 . . . . 0.0 110.615 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.9 p -46.49 -20.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.375 179.53 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 2' ' ' ASP . 33.9 mt-10 -72.92 -58.75 3.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.786 -179.746 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -70.5 -21.9 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.55 -34.79 67.68 Favored Glycine 0 CA--C 1.517 0.18 0 N-CA-C 109.153 -1.579 . . . . 0.0 109.153 178.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -68.82 -43.2 76.06 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.155 -0.523 . . . . 0.0 110.044 179.153 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.05 -47.48 85.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.659 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 76.0 mt -67.29 -22.61 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.948 -179.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.526 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.9 t80 -81.41 -52.54 7.16 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.711 -0.395 . . . . 0.0 111.56 -179.11 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 28.0 m -54.95 -31.42 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.785 0.326 . . . . 0.0 111.336 -178.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.72 -24.61 15.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -178.408 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.595 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 20.6 ttmt -101.59 -63.39 1.15 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -177.657 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.515 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -86.54 -35.76 19.34 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -176.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -26.92 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.87 -178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -46.97 -63.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.814 -179.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.599 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.33 47.04 1.77 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.747 -179.037 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.599 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 10.8 m-70 -155.4 -177.15 6.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.259 179.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.85 -39.37 0.62 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.557 -179.385 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 10' ' ' PHE . 12.6 m 42.84 33.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.971 179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.501 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 13.4 pt-20 -132.17 116.08 16.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.991 0.424 . . . . 0.0 110.35 179.367 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -46.65 143.54 2.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.703 -179.56 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.06 57.0 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.896 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.3 -143.72 10.09 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -147.89 107.92 4.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.699 0.285 . . . . 0.0 110.439 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.444 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -54.36 123.8 14.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.838 0.351 . . . . 0.0 110.432 179.955 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' GLY . 42.7 mttm -121.87 133.09 54.87 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HG22 ' A' ' 28' ' ' THR . 19.9 m 38.74 27.28 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.132 0.492 . . . . 0.0 110.325 179.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 164.05 156.78 9.0 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -70.38 173.93 10.8 Favored 'Trans proline' 0 C--N 1.308 -1.586 0 C-N-CA 122.553 2.169 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.468 ' O ' HD23 ' A' ' 32' ' ' LEU . 10.6 p30 -93.95 166.03 12.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.899 179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.2 mt -117.14 36.1 4.37 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.712 0.292 . . . . 0.0 110.302 179.478 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.56 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 21.8 m170 -65.23 142.24 58.36 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.14 29.04 0.02 OUTLIER Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.454 -1.059 . . . . 0.0 110.454 -179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.789 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -45.96 -57.74 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.139 0.495 . . . . 0.0 111.165 -179.366 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 64' ' ' LEU . 17.5 m-85 -54.88 92.62 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.657 -178.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.73 -26.02 2.79 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 120.871 -0.68 . . . . 0.0 113.006 178.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.4 mtm180 -89.76 147.13 24.01 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 117.307 0.553 . . . . 0.0 111.597 -178.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.583 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 27.6 mmtt -66.88 170.55 6.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.795 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.419 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 18.8 p -68.34 145.52 54.11 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.011 0.434 . . . . 0.0 111.484 -179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.405 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 44.83 50.58 8.6 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -112.8 -19.09 12.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.661 0.267 . . . . 0.0 110.928 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.58 122.97 83.19 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.274 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.18 116.82 3.98 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.304 2.002 . . . . 0.0 112.05 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 159.22 -81.59 0.15 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -71.42 151.07 44.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.821 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.2 m -76.23 83.22 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.474 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 12.4 m-85 -58.47 152.4 18.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.727 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.9 p -80.82 162.05 24.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.541 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' ASN . 4.3 p-10 -56.25 -47.53 78.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.63 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.85 -39.01 65.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.719 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.38 -27.32 34.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.533 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 22.8 tttm -86.01 -10.35 55.2 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.789 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.63 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -19.02 65.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.233 179.845 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.551 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 10.3 mttp 57.51 64.06 1.68 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.416 -179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.3 -43.74 5.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -179.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.624 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -138.9 -179.07 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.624 ' N ' HD12 ' A' ' 57' ' ' ILE . 21.7 m -121.7 140.8 51.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 -179.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.7 m0 -62.72 137.77 58.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.883 179.328 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.7 mtmt -155.48 -163.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.849 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -76.28 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.631 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' OE1' ' SD ' ' A' ' 65' ' ' MET . 61.6 mm-40 -69.93 -41.19 74.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.555 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 82.5 p -54.51 -37.89 65.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.108 0.48 . . . . 0.0 109.765 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.7 mt -67.05 -37.89 84.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.097 179.809 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.477 ' SD ' ' OE1' ' A' ' 62' ' ' GLU . 21.3 mtp -56.92 -57.15 13.78 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.624 -0.43 . . . . 0.0 111.006 -179.484 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 33.4 mt-10 -60.59 -30.49 69.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.197 0.523 . . . . 0.0 109.886 179.836 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -78.51 -25.32 45.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.271 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.713 HD21 HMB2 ' A' ' 201' ' ' HEC . 13.2 mt -77.95 -24.69 48.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.141 -179.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.532 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 pt-20 -95.95 -8.2 34.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.068 0.461 . . . . 0.0 110.586 -179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.603 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -167.6 65.24 0.73 Allowed Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.346 179.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -48.4 -35.04 27.08 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.914 2.409 . . . . 0.0 112.919 -179.574 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.657 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.7 tppt? -82.06 -48.24 11.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.921 -178.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -60.19 -30.09 69.13 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.849 -178.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.84 -57.1 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.758 -0.377 . . . . 0.0 110.206 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.8 mt -127.72 71.21 77.77 Favored Pre-proline 0 C--N 1.332 -0.184 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.996 179.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.458 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 87.0 Cg_exo -42.29 127.9 4.28 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.782 2.321 . . . . 0.0 112.109 -179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.46 6.16 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.1 t -55.39 138.6 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.615 0.245 . . . . 0.0 110.368 179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 9.7 ttpt -84.74 91.32 7.93 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.033 -179.774 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 17.8 ttt -176.45 99.88 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 179.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.657 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.58 83.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.572 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -113.36 -72.17 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.445 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -175.56 115.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.55 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.9 173.12 27.99 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.595 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 4.1 mm -83.84 161.14 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.689 0.28 . . . . 0.0 110.398 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.5 ' N ' HG22 ' A' ' 85' ' ' ILE . 50.2 tttt -99.94 -70.62 0.73 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.499 -179.406 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -85.11 162.91 19.08 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.103 0.478 . . . . 0.0 111.333 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' ARG . 17.1 ttpt -69.18 -52.58 26.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.481 179.884 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.418 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 54.0 p -50.2 -28.21 7.15 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -67.93 -36.02 79.42 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 7.4 mtt180 -77.06 -49.73 14.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.037 178.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -58.2 -53.36 59.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.116 -179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 89' ' ' THR . 65.2 m-20 -57.87 -47.08 83.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.984 0.421 . . . . 0.0 109.934 179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.87 -35.43 76.61 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.225 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 68' ' ' LEU . 21.3 mt -77.04 -28.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.577 -179.42 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.81 79.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -76.86 -43.61 35.44 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.743 179.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.562 ' O ' HG23 ' A' ' 102' ' ' THR . 15.0 mt -57.92 -23.54 53.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.202 179.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -78.91 -53.53 6.97 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.632 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.46 -18.03 61.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.507 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.4 -30.61 21.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.5 179.881 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.8 p -91.7 -3.15 56.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.193 -179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.405 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -96.75 -24.23 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.513 179.881 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.713 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.79 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.401 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 4' ' ' GLU . 19.9 m-20 -95.09 86.23 4.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.932 0.396 . . . . 0.0 110.675 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -47.09 -19.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.214 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.43 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.752 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -72.71 -18.81 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.38 -36.45 63.12 Favored Glycine 0 CA--C 1.519 0.295 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -69.13 -42.43 76.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.307 -0.447 . . . . 0.0 109.924 179.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.96 83.6 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.056 0.455 . . . . 0.0 110.786 179.911 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 75.6 mt -67.44 -22.34 28.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.837 -179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.8 t80 -81.2 -52.33 7.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.565 -179.203 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -55.76 -31.64 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.337 . . . . 0.0 111.505 -178.857 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -95.68 -24.98 16.29 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -178.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.1 tppp? -101.53 -64.15 1.08 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 113.993 1.109 . . . . 0.0 113.993 -177.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -83.86 -37.85 21.92 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -176.523 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.75 -26.85 1.73 Allowed 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.282 -0.567 . . . . 0.0 110.843 -178.664 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -47.65 -58.67 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.291 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.49 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -125.62 51.34 1.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 121.076 -0.249 . . . . 0.0 111.335 -179.256 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 47.9 m-70 -157.12 -176.56 6.04 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.066 179.452 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -140.02 -39.09 0.45 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.491 -179.592 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CE2' ' A' ' 10' ' ' PHE . 6.2 m 40.38 24.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.689 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.523 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.1 pt-20 -120.51 116.07 24.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.01 0.434 . . . . 0.0 110.313 179.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 145.55 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.8 -179.415 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.74 25.28 51.3 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.8 -140.79 8.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -151.72 115.31 4.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.871 0.367 . . . . 0.0 110.321 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -54.32 120.72 6.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.407 -179.918 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 29' ' ' GLY . 16.3 ttmm -115.56 126.93 54.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.433 -179.826 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.554 ' O ' HG22 ' A' ' 28' ' ' THR . 23.1 m 39.25 27.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.068 0.461 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 167.71 156.16 9.83 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.679 -0.968 . . . . 0.0 110.679 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -68.62 165.89 27.81 Favored 'Trans proline' 0 C--N 1.307 -1.621 0 C-N-CA 122.582 2.188 . . . . 0.0 112.297 -179.782 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -86.77 162.05 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.92 179.547 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.4 mt -115.57 34.49 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.652 0.263 . . . . 0.0 110.326 179.678 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.581 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 49.8 m170 -63.31 141.47 58.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.312 179.753 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.91 29.58 0.01 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.544 -1.023 . . . . 0.0 110.544 -179.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.793 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.1 tp -44.79 -57.75 3.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.169 0.509 . . . . 0.0 111.047 -179.433 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.2 m-85 -54.23 91.56 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.479 -179.157 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.92 -25.65 2.66 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.852 178.761 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.581 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 10.9 mtm180 -87.44 155.27 20.09 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.408 0.604 . . . . 0.0 111.649 -178.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 40' ' ' THR . 4.8 tppt? -78.78 154.44 29.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.274 -179.625 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.465 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 13.4 p -52.83 142.01 20.11 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.724 -179.772 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 45.0 50.93 8.71 Favored Glycine 0 CA--C 1.523 0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.751 179.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' CD ' ' O ' ' A' ' 42' ' ' GLN . 1.2 tm0? -113.79 -19.31 11.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.712 0.291 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -65.17 123.24 83.52 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.355 179.833 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -78.34 121.98 5.45 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 122.344 2.03 . . . . 0.0 112.053 179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.28 -84.66 0.14 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' A' ' 47' ' ' THR . 67.9 t80 -70.85 154.82 41.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 0.0 110.785 -179.788 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.426 ' N ' ' CD2' ' A' ' 46' ' ' PHE . 29.8 m -78.53 84.22 4.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.55 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.478 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 9.6 m-85 -57.9 152.71 15.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.632 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.5 p -78.73 159.59 27.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.342 179.763 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -57.76 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.605 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.647 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -58.25 -37.56 75.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.47 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -81.23 -27.41 35.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.042 0.448 . . . . 0.0 110.079 179.719 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -85.28 -10.97 55.83 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.647 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.11 -19.03 65.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.146 179.787 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.556 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 9.5 mtmp? 56.95 64.47 1.64 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.32 179.865 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -90.19 -37.23 6.76 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 -179.47 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 58' ' ' THR . 2.6 pp -145.22 -178.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.6 m -121.79 140.72 51.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.671 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.0 m0 -63.12 136.36 57.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.4 mtmt -151.53 -165.04 2.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.682 179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.56 -58.76 3.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.638 -0.425 . . . . 0.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -70.66 -35.63 72.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.938 -179.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 69.4 p -59.6 -37.47 78.64 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.403 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.793 HD11 ' CD2' ' A' ' 35' ' ' LEU . 2.3 mt -67.44 -36.43 81.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.184 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.9 mtp -57.56 -57.09 14.23 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.149 -179.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -61.01 -29.69 69.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.032 0.444 . . . . 0.0 109.954 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -77.82 -27.82 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.329 179.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.687 HD21 HMB2 ' A' ' 201' ' ' HEC . 16.6 mt -79.11 -22.49 45.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 -179.824 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -89.75 -13.37 36.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.132 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.618 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.61 69.48 0.4 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.199 179.941 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -49.06 -36.23 34.87 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.115 2.543 . . . . 0.0 113.023 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.518 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.08 -47.77 27.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.978 -178.752 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.618 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 ttmt -64.49 -29.5 70.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.608 -178.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.15 -57.17 8.24 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.67 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.6 mt -127.35 71.06 76.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.096 179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.474 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 89.1 Cg_exo -40.38 126.11 2.04 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.908 2.406 . . . . 0.0 112.14 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.518 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.8 -28.65 6.94 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -55.43 139.94 41.74 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -88.04 93.21 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.731 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.411 ' C ' HD12 ' A' ' 81' ' ' ILE . 9.2 ttt -177.54 96.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.812 179.771 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.0 mp -129.12 90.23 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.5 179.673 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -121.28 -70.71 0.77 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.573 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -176.17 115.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.76 170.14 36.81 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.8 mm -83.93 161.33 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 179.84 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.502 ' N ' HG22 ' A' ' 85' ' ' ILE . 11.4 mmtp -105.22 -68.15 0.88 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.692 -179.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm -80.62 161.69 24.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.086 0.469 . . . . 0.0 111.263 -179.062 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -71.16 -50.51 32.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.261 179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.1 p -52.68 -27.15 16.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.3 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -67.22 -38.42 85.21 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -76.5 -49.0 17.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.996 179.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.73 -53.37 58.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -58.98 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.014 179.391 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 tp -58.75 -36.09 73.8 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.058 179.43 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.584 HD11 HD12 ' A' ' 68' ' ' LEU . 26.7 mt -77.38 -28.22 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.714 -179.269 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.15 -34.36 77.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -77.0 -42.09 40.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.822 179.017 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 102' ' ' THR . 13.3 mt -59.63 -23.64 63.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.155 179.602 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.42 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 39.5 mtpt -78.94 -52.6 8.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -74.91 -18.87 60.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.741 -179.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.24 -29.65 22.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.816 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 98' ' ' LEU . 64.6 p -92.02 -7.19 49.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.065 179.91 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 99' ' ' LYS . 0.9 OUTLIER -89.82 -25.7 20.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.479 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.637 179.946 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.693 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.743 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.501 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' C ' ' N ' ' A' ' 4' ' ' GLU . 33.2 m-20 -99.0 86.62 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 0.0 110.761 179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.1 p -46.13 -20.32 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.176 179.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 2' ' ' ASP . 41.5 mm-40 -72.87 -58.41 3.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -70.74 -20.05 62.67 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -35.92 71.34 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 109.12 -1.592 . . . . 0.0 109.12 178.817 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -67.82 -42.67 81.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.212 -0.494 . . . . 0.0 109.758 179.017 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -59.24 -48.17 82.63 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.539 179.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.421 ' O ' ' CB ' ' A' ' 13' ' ' LYS . 74.0 mt -66.56 -22.4 29.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.043 -179.767 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.3 t80 -81.68 -52.43 7.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.598 -179.13 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.453 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.0 m -55.41 -31.12 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.32 -24.85 15.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -178.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 1.0 OUTLIER -101.7 -64.13 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 -177.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -84.1 -36.85 22.68 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -176.552 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.52 -27.0 1.58 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.251 -0.58 . . . . 0.0 110.746 -178.834 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -46.79 -60.56 2.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.47 -179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -124.7 51.32 1.64 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.426 -179.326 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 42.0 m-70 -155.63 -176.6 6.04 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.972 0.415 . . . . 0.0 111.111 179.273 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -139.8 -39.64 0.45 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.304 -179.6 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 19' ' ' THR . 13.3 m 42.41 33.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.934 179.638 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.548 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 14.4 pt-20 -131.41 120.35 22.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.886 0.374 . . . . 0.0 110.382 179.444 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -58.97 135.64 57.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.634 -179.575 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.25 24.04 76.23 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.33 -139.27 10.59 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -151.57 125.16 8.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.772 0.32 . . . . 0.0 110.178 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -54.25 116.83 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.418 -179.92 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -104.93 110.31 22.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.364 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.587 ' O ' HG22 ' A' ' 28' ' ' THR . 27.0 m 44.1 27.37 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.43 . . . . 0.0 110.06 -179.759 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.27 160.16 21.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -179.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -70.04 166.15 28.91 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.633 2.222 . . . . 0.0 112.224 -179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' O ' ' O ' ' A' ' 303' ' ' HOH . 6.5 p30 -88.03 158.95 18.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.658 179.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 31' ' ' ASN . 13.4 mt -114.21 35.69 4.05 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.889 -0.325 . . . . 0.0 110.555 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.558 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 15.4 m170 -62.51 142.1 58.11 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 179.489 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 31.25 39.64 0.05 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 -179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.824 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.2 tp -50.36 -58.41 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.029 -0.586 . . . . 0.0 111.472 -178.883 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -55.37 96.71 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.434 -179.149 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.9 -32.24 2.13 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.517 178.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.558 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.4 mtm180 -87.01 147.82 25.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 117.158 0.479 . . . . 0.0 111.381 -179.025 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 28.2 mmtt -71.29 168.39 17.44 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.603 179.863 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 14.1 p -64.46 141.84 58.63 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.604 -179.408 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 48' ' ' TYR . . . 58.35 51.58 57.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 179.527 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.41 -19.25 11.29 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -179.241 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' HE2' ' A' ' 48' ' ' TYR . . . -64.24 120.97 69.31 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.471 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -78.71 110.51 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.254 1.969 . . . . 0.0 112.179 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 160.55 -78.41 0.17 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 179.805 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -70.92 154.87 41.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 0.0 110.797 -179.57 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -82.24 87.58 6.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.441 179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.489 ' HE2' ' HB3' ' A' ' 43' ' ' ALA . 13.8 m-85 -59.76 150.86 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.013 -179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.9 p -82.04 151.41 27.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.346 179.776 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.7 m-20 -47.11 -43.07 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.374 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -53.59 -39.99 65.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.197 179.77 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -80.93 -25.26 37.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 -13.23 54.28 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.596 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.61 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -66.37 -18.87 65.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.467 -179.961 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.558 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 3.5 mtpt 56.77 64.2 1.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 -179.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' H ' HD21 ' A' ' 54' ' ' ASN . . . -83.47 -46.28 6.15 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -179.301 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.721 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.2 pp -142.25 173.95 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.719 -179.75 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.495 ' N ' HD12 ' A' ' 57' ' ' ILE . 59.6 m -110.93 140.5 45.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.124 -179.615 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.2 m0 -62.84 138.07 58.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.582 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.9 mtmt -157.2 -166.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.566 179.901 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -73.31 -58.45 3.3 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.332 179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -67.52 -45.62 75.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.582 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 71.6 p -51.59 -37.94 52.16 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.9 mt -68.73 -33.93 74.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.184 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.2 mtp -61.65 -57.02 13.63 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.006 -179.579 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -60.6 -30.71 70.0 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -78.26 -26.97 47.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.288 179.472 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 95' ' ' ILE . 11.3 mt -80.6 -15.89 55.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.855 -179.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.517 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 4.6 pt-20 -98.03 -11.26 23.18 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.015 0.436 . . . . 0.0 110.295 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.637 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -172.59 64.78 0.35 Allowed Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.985 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -44.49 -37.5 10.93 Favored 'Trans proline' 0 C--N 1.307 -1.655 0 C-N-CA 123.321 2.681 . . . . 0.0 113.644 -179.167 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.6 tppt? -76.76 -48.16 19.51 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.857 -178.586 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.637 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tmmt? -60.63 -30.2 69.72 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.189 -178.81 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -66.62 -56.87 8.72 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.431 -179.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.8 mt -127.84 70.52 77.59 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.073 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.5 Cg_exo -42.12 129.33 4.41 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.771 2.314 . . . . 0.0 112.325 -179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HG21 ' A' ' 49' ' ' THR . . . 116.63 -31.59 5.88 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.0 t -55.4 136.76 49.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.657 0.265 . . . . 0.0 110.585 179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 21.6 mtmt -82.39 91.41 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.717 179.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.436 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.6 ttt -172.92 97.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.558 179.499 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.694 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -133.52 96.93 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.331 -179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -130.45 -72.76 0.56 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.92 114.37 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.585 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.4 176.16 19.31 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.3 mm -88.91 159.76 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.684 0.278 . . . . 0.0 110.274 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.471 ' N ' HG22 ' A' ' 85' ' ' ILE . 79.0 mttt -98.98 -71.29 0.7 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.552 -179.259 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -81.58 159.76 24.0 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.998 0.428 . . . . 0.0 111.438 -178.851 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -71.06 -38.06 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.23 179.593 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 38.7 p -63.41 -27.64 69.44 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.11 179.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -67.11 -35.92 80.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' O ' HD12 ' A' ' 95' ' ' ILE . 11.8 mtm180 -76.05 -49.77 16.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.771 178.841 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -56.51 -53.67 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.145 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -58.8 -46.9 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 109.896 179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.02 -35.21 74.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.343 179.608 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.638 HD11 HD12 ' A' ' 68' ' ' LEU . 5.7 mt -77.06 -29.52 17.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.539 -179.182 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.49 83.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 101' ' ' ALA . 70.9 t80 -73.86 -54.48 7.89 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.504 178.918 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 102' ' ' THR . 11.1 mt -46.43 -24.78 0.55 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.102 179.411 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 36' ' ' PHE . 43.3 mtpt -77.84 -47.89 17.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.039 -179.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.1 ttpt -80.14 -15.61 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 97' ' ' TYR . . . -86.22 -32.05 21.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.592 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 98' ' ' LEU . 44.2 p -87.93 -2.92 58.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.17 0.51 . . . . 0.0 109.971 179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.414 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -96.6 -23.16 16.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.181 -179.874 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.757 -179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.648 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.786 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.543 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.431 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 66.5 m-20 -137.54 85.24 2.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.852 0.358 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.0 -20.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.426 179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 22.1 mt-10 -73.31 -58.68 3.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -72.13 -19.46 61.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.69 -34.96 62.52 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -68.81 -43.32 75.85 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.244 -0.478 . . . . 0.0 109.971 178.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -59.2 -46.08 89.39 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.089 0.471 . . . . 0.0 110.537 179.924 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 65.9 mt -67.64 -22.75 28.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.2 t80 -81.48 -52.08 7.62 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.563 -179.2 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 26.8 m -54.88 -31.44 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.404 -178.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.77 -25.01 16.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -178.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HG2' HBB1 ' A' ' 201' ' ' HEC . 0.4 OUTLIER -101.54 -63.84 1.11 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -177.602 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.3 m -84.71 -36.04 22.11 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -176.486 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.88 -26.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.547 -179.108 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' HB2' HMC3 ' A' ' 201' ' ' HEC . 53.5 mt-30 -45.44 -64.64 0.68 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.613 -179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.6 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -120.54 48.38 1.61 Allowed 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -178.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.6 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.2 m-70 -155.54 -176.9 6.19 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.332 179.522 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.22 -37.95 0.56 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.372 -179.693 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.511 HG21 ' CE2' ' A' ' 10' ' ' PHE . 8.4 m 41.33 21.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.732 179.73 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.51 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.3 pt-20 -116.1 117.69 30.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.637 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -49.0 139.37 10.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.81 -179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.46 30.61 68.55 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -91.6 -141.08 9.54 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 pttm -151.67 118.48 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 26' ' ' HIS . 17.5 p80 -54.13 137.21 40.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' C ' ' N ' ' A' ' 29' ' ' GLY . 41.3 mtpt -137.52 121.43 17.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.153 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 28' ' ' THR . 24.3 m 43.38 27.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.0 110.03 -179.616 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 164.95 154.78 8.13 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.82 175.19 7.61 Favored 'Trans proline' 0 C--N 1.308 -1.603 0 C-N-CA 122.5 2.133 . . . . 0.0 112.257 -179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 303' ' ' HOH . 12.5 p30 -95.03 162.39 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.078 179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.0 mt -114.67 35.54 4.21 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.702 0.287 . . . . 0.0 110.334 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.568 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 35.2 m170 -62.25 143.06 57.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.427 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.51 33.4 0.02 OUTLIER Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 -179.911 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 tp -48.01 -57.85 5.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.172 0.511 . . . . 0.0 111.288 -179.431 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 19.6 m-85 -54.92 92.16 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.46 -178.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 139.55 -28.08 2.57 Favored Glycine 0 CA--C 1.53 0.979 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.82 178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 14.0 mtm180 -88.13 146.41 25.43 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 117.284 0.542 . . . . 0.0 111.355 -179.019 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 26.9 mmtt -68.51 169.3 11.16 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.773 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.8 p -65.53 145.38 56.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.233 -179.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 48' ' ' TYR . . . 51.57 51.19 39.19 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.612 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -103.67 -19.06 14.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.773 0.321 . . . . 0.0 110.472 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.545 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . . . -81.59 119.61 75.93 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -78.1 -14.23 15.19 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.414 2.076 . . . . 0.0 112.281 -179.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.12 -67.52 0.95 Allowed Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 47' ' ' THR . 13.2 t80 -98.51 154.98 17.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.84 -179.674 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.45 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 14.6 m -72.52 85.5 1.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.28 179.78 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 43' ' ' ALA . 22.0 m-85 -58.74 153.73 16.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.029 -179.649 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -80.51 162.46 24.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -60.12 -26.74 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.754 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -68.11 -39.23 82.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.519 179.894 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -81.03 -25.56 37.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.97 0.414 . . . . 0.0 110.31 179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -83.71 -12.24 56.1 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.59 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.624 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -64.66 -19.17 65.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.141 179.812 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 6.6 mtpm? 53.69 64.35 1.87 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.405 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.19 -39.18 6.49 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.391 -0.684 . . . . 0.0 111.391 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.1 pp -143.8 175.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.625 0.25 . . . . 0.0 110.499 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.579 ' N ' HD12 ' A' ' 57' ' ' ILE . 30.2 m -115.56 140.75 48.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.195 -179.718 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 3.8 m0 -62.61 137.79 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.819 179.33 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.7 mtmt -155.72 -163.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 65' ' ' MET . 45.3 tt0 -76.42 -58.37 3.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.689 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -37.68 77.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.057 -179.598 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.551 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 66.4 p -59.23 -36.84 76.16 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.0 mt -69.92 -33.26 71.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.147 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 25.1 mtp -61.14 -57.29 13.12 Favored 'General case' 0 C--O 1.232 0.148 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.05 -179.487 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -60.44 -30.47 69.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.273 0.559 . . . . 0.0 109.598 179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 5.1 t80 -78.28 -27.54 47.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.344 179.589 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 HD12 HD11 ' A' ' 95' ' ' ILE . 8.4 mt -78.39 -22.57 47.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.102 -179.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -91.24 -13.28 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.555 HD22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -173.36 72.11 0.38 Allowed Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.39 0.614 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -51.66 -27.55 26.44 Favored 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.282 2.655 . . . . 0.0 113.401 -179.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.438 ' HZ2' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.05 -47.92 19.28 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.37 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.555 ' H ' HD22 ' A' ' 70' ' ' ASN . 0.0 OUTLIER -65.36 -30.05 70.83 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.707 -0.397 . . . . 0.0 111.685 -178.366 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -65.86 -57.11 8.67 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.789 -179.422 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.9 mt -128.24 70.39 78.87 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.261 179.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.44 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 82.2 Cg_exo -41.84 137.75 2.88 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.957 2.438 . . . . 0.0 112.203 -179.662 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' H ' ' HZ2' ' A' ' 72' ' ' LYS . . . 103.71 -26.51 23.15 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 -179.805 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 11.3 t -55.51 142.76 31.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.251 . . . . 0.0 110.564 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 34.7 mmtt -87.95 91.28 8.71 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.614 179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 10.5 ttt -178.83 96.38 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.481 179.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.452 ' N ' HD12 ' A' ' 81' ' ' ILE . 5.0 mp -133.83 83.06 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.372 179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -115.99 -79.02 0.58 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.55 -179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -162.32 120.01 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.581 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.2 179.6 42.22 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.4 mm -92.3 161.53 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' N ' HG22 ' A' ' 85' ' ' ILE . 27.5 mtmm -103.27 -70.33 0.76 Allowed 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.729 -179.148 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -81.37 162.86 23.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.1 0.476 . . . . 0.0 111.562 -178.834 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -70.12 -52.48 23.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.4 179.817 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 37.5 p -51.91 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 110.409 -179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -68.33 -37.82 80.94 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.579 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.9 mtm105 -76.88 -49.43 15.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.93 179.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -57.85 -53.38 58.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.071 179.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -58.5 -47.71 83.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.046 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 tp -59.08 -37.38 76.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.248 179.766 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.652 HD11 HD12 ' A' ' 68' ' ' LEU . 5.3 mt -74.92 -28.03 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.28 -34.89 79.15 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -77.08 -44.54 30.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.04 179.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' ' 102' ' ' THR . 11.6 mt -57.6 -23.63 51.92 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.362 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -78.97 -54.63 5.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.776 -179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -74.71 -17.18 60.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.943 0.402 . . . . 0.0 110.579 -179.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.55 -30.22 22.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.674 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 98' ' ' LEU . 47.4 p -90.24 -6.51 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.084 0.469 . . . . 0.0 110.055 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.57 -25.76 20.04 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.351 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.586 179.801 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.627 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.778 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.444 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.499 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 64.4 m-20 -160.34 87.45 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.865 0.364 . . . . 0.0 110.731 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -44.6 -21.42 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.294 179.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 91.7 mt-10 -72.52 -58.64 3.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.623 -179.771 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.63 -19.95 62.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.656 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.56 -36.28 76.28 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.81 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.459 ' NZ ' HG11 ' A' ' 11' ' ' VAL . 13.6 ttpp -69.11 -42.22 76.36 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' O ' HG22 ' A' ' 11' ' ' VAL . 1.1 tmmt? -59.07 -49.15 78.97 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.12 0.486 . . . . 0.0 110.755 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 89.4 mt -65.95 -24.57 34.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.721 -179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 20' ' ' VAL . 2.6 t80 -77.77 -52.18 9.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.656 -179.077 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG11 ' NZ ' ' A' ' 7' ' ' LYS . 27.7 m -54.65 -30.64 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -178.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -96.29 -24.53 16.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.484 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 18.0 mtpt -101.26 -62.85 1.2 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -178.204 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.1 m -87.03 -35.72 18.61 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.307 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.94 -27.16 2.03 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.651 -178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -47.31 -55.74 8.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.084 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.502 ' O ' ' CD2' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -129.9 53.87 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.964 -0.294 . . . . 0.0 111.284 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.502 ' CD2' ' O ' ' A' ' 17' ' ' CYS . 48.6 m-70 -158.95 -176.83 6.1 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.993 0.425 . . . . 0.0 111.015 179.403 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.2 OUTLIER -139.5 -37.67 0.49 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.345 -179.838 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 10' ' ' PHE . 13.8 m 41.79 33.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.074 179.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.536 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 8.6 pt-20 -138.92 121.43 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.389 . . . . 0.0 110.501 179.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.88 135.07 0.91 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.601 -179.725 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.17 28.18 68.64 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.29 108.91 3.69 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -46.97 111.6 0.42 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.091 -0.554 . . . . 0.0 110.574 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' CD2' ' H ' ' A' ' 26' ' ' HIS . 3.5 p80 -63.25 126.33 27.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.375 179.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -128.88 133.47 47.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.233 179.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m 44.49 27.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.051 0.453 . . . . 0.0 110.28 -179.677 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 160.34 153.71 7.04 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.31 178.05 6.57 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.557 2.172 . . . . 0.0 112.234 -179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.513 ' OD1' ' CG ' ' A' ' 33' ' ' HIS . 7.7 p30 -97.55 161.21 13.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.928 179.637 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 31' ' ' ASN . 14.7 mt -114.09 36.77 3.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.399 179.765 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.2 m170 -65.64 143.38 57.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.26 179.783 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 36.28 28.76 0.02 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 -179.772 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.81 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.0 tp -46.53 -57.61 4.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.242 0.544 . . . . 0.0 111.145 -179.425 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' A' ' 36' ' ' PHE . 20.2 m-85 -54.61 93.04 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.648 -178.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.4 -28.91 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.648 178.696 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.574 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 9.7 mtm180 -85.45 143.85 28.33 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 117.332 0.566 . . . . 0.0 111.38 -179.034 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.544 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 11.8 mmtp -64.83 173.13 2.42 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.826 179.737 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.405 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 11.8 p -69.35 147.98 50.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.368 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 44.84 50.83 8.52 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.449 -0.66 . . . . 0.0 111.449 179.32 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.539 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 5.6 tt0 -111.96 -14.64 13.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.654 0.264 . . . . 0.0 110.744 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.613 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -69.77 119.38 70.87 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.57 -179.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -79.57 119.54 4.13 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.346 2.031 . . . . 0.0 111.903 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.35 -84.16 0.14 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -71.06 151.64 44.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.299 . . . . 0.0 110.634 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -72.4 81.92 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.528 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 10.1 m-85 -57.23 153.38 12.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.5 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -81.32 160.2 24.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.641 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' ASN . 1.9 p-10 -58.05 -48.5 79.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.504 179.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.632 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -50.94 -41.13 58.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.89 -179.685 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -81.08 -28.42 35.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.995 0.426 . . . . 0.0 110.203 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.468 ' O ' ' CG ' ' A' ' 53' ' ' LYS . 14.9 tttp -86.24 -4.96 59.27 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 179.652 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.632 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -71.01 -18.89 62.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 179.526 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 11.6 mptt 58.45 64.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.322 -179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -94.06 -33.65 6.85 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 58' ' ' THR . 2.5 pp -145.52 -178.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 179.868 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 ' N ' HD12 ' A' ' 57' ' ' ILE . 18.6 m -125.62 140.7 52.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.196 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.616 ' CE3' HD12 ' A' ' 35' ' ' LEU . 2.4 m0 -63.58 138.62 58.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.83 179.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.9 mtmt -155.45 -165.55 2.02 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -75.42 -58.36 3.33 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.735 -179.931 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.19 -40.46 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.985 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.528 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.5 p -56.86 -36.7 70.35 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.669 -0.412 . . . . 0.0 109.999 179.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.81 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mt -68.79 -35.49 77.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.101 179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.8 mtp -59.24 -57.47 12.87 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.324 -179.127 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 12.1 mm-40 -61.16 -31.77 71.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 0.0 109.68 179.718 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 11.5 t80 -78.55 -23.52 46.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.714 179.89 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.637 HD12 HD11 ' A' ' 95' ' ' ILE . 7.3 mt -79.25 -20.37 48.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.39 -179.055 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 8.5 pt-20 -100.3 -6.55 25.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.972 0.415 . . . . 0.0 110.585 179.781 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.648 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.4 p-10 -167.1 58.47 0.44 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.482 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' ASN . 72.1 Cg_exo -42.86 -42.25 8.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.23 2.62 . . . . 0.0 113.22 -179.777 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.548 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -75.67 -47.75 24.98 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.565 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -62.49 -11.99 19.46 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.423 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -86.95 -56.92 3.17 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.517 -179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.33 74.08 40.64 Favored Pre-proline 0 N--CA 1.465 0.315 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.46 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 86.8 Cg_exo -43.54 126.31 5.31 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.681 2.254 . . . . 0.0 112.199 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.548 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.76 -31.08 5.86 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.33 134.62 50.19 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.457 ' O ' ' CMD' ' A' ' 201' ' ' HEC . 11.1 tptp -83.89 91.43 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.656 -0.418 . . . . 0.0 110.927 -179.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.636 ' C ' HD12 ' A' ' 81' ' ' ILE . 12.1 ttt -171.36 95.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.636 HD12 ' C ' ' A' ' 80' ' ' MET . 1.8 mp -110.56 112.98 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.202 -179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -158.64 178.25 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.396 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -79.77 110.25 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.383 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.05 174.5 3.33 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 -179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.6 mm -78.86 159.45 4.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.695 0.283 . . . . 0.0 110.357 179.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.479 ' N ' HG22 ' A' ' 85' ' ' ILE . 35.3 mmtt -100.99 -71.11 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.375 -179.375 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -81.08 162.67 23.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.173 0.511 . . . . 0.0 111.398 -178.887 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -70.83 -51.42 26.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.057 179.529 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.434 ' O ' ' OD2' ' A' ' 93' ' ' ASP . 50.3 p -51.59 -27.98 12.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.365 179.893 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -66.94 -37.21 83.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 179.113 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 95' ' ' ILE . 7.4 mtm180 -76.69 -49.43 16.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.987 179.037 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -57.48 -53.66 55.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.251 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' OD1' ' N ' ' A' ' 2' ' ' ASP . 65.6 m-20 -59.0 -45.48 90.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.962 179.517 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.0 tp -61.41 -35.84 78.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.114 179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.637 HD11 HD12 ' A' ' 68' ' ' LEU . 5.8 mt -76.65 -28.57 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.322 -179.274 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.77 -35.13 79.57 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -77.15 -45.52 26.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.969 179.227 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' O ' HG23 ' A' ' 102' ' ' THR . 12.0 mt -55.99 -23.42 32.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.792 0.33 . . . . 0.0 110.169 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -80.08 -52.42 7.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.991 -179.617 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -75.59 -18.1 59.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.866 0.365 . . . . 0.0 110.689 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.53 -32.06 20.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 98' ' ' LEU . 76.5 p -90.62 -11.4 40.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.223 -179.838 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -83.06 -26.51 31.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.421 -179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.522 179.904 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.653 HMC1 HBC3 ' A' ' 201' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.777 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.498 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.436 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' OD2' ' CE ' ' A' ' 5' ' ' LYS . 8.3 m-20 -115.94 84.26 2.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.841 0.353 . . . . 0.0 110.517 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 p -49.35 -17.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.323 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.412 ' N ' ' C ' ' A' ' 2' ' ' ASP . 74.2 mt-10 -74.54 -58.53 3.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.62 -179.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' CE ' ' OD2' ' A' ' 2' ' ' ASP . 31.2 mtmt -72.43 -19.54 61.56 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.62 -34.59 59.79 Favored Glycine 0 CA--C 1.517 0.207 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 178.577 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -68.73 -42.45 77.59 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.114 -0.543 . . . . 0.0 109.769 178.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -58.84 -46.51 87.52 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.13 0.49 . . . . 0.0 110.625 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.67 -22.99 28.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.879 -179.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.494 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.7 t80 -81.18 -52.44 7.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.554 -179.268 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.485 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.4 m -54.52 -31.88 23.95 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 CA-C-O 120.86 0.362 . . . . 0.0 111.349 -178.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -95.55 -25.58 16.13 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -178.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' NZ ' HD13 ' A' ' 85' ' ' ILE . 21.1 ttmt -101.62 -64.75 1.03 Allowed 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.51 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 2.7 m -82.37 -37.64 25.33 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -176.655 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.0 -26.61 1.85 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.756 -178.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -46.47 -63.53 0.98 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.581 -179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.58 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -119.46 48.65 1.47 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.16 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.58 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 12.5 m-70 -156.95 -177.76 6.86 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.675 -0.41 . . . . 0.0 111.247 179.487 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -138.46 -37.64 0.55 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.376 -179.82 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG21 ' CE2' ' A' ' 10' ' ' PHE . 14.5 m 42.05 32.57 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.623 179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 6.5 pt-20 -132.43 121.08 22.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 179.69 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -51.0 146.05 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.63 29.74 33.23 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.319 -0.713 . . . . 0.0 111.319 179.686 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.07 -140.96 8.5 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.7 pttm -151.63 104.78 3.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.228 179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 123.81 14.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.429 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -121.16 117.91 28.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.315 179.916 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m 53.53 27.7 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.39 . . . . 0.0 110.366 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 167.14 157.03 10.21 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.76 169.79 21.15 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.684 2.256 . . . . 0.0 112.167 179.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.499 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -88.97 166.93 13.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.896 179.61 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 31' ' ' ASN . 17.1 mt -119.23 37.53 4.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.45 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.586 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 37.5 m170 -63.22 142.03 58.54 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.427 -179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 35.47 30.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 64' ' ' LEU . 6.3 tp -45.21 -57.87 3.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.148 0.499 . . . . 0.0 111.057 -179.371 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.513 ' CE2' HD12 ' A' ' 64' ' ' LEU . 14.9 m-85 -56.52 90.3 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.281 -179.164 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.25 -27.3 2.41 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.548 179.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 12.5 mtm180 -87.6 145.93 25.98 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 117.158 0.479 . . . . 0.0 111.363 -179.109 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 25.6 mmtt -67.85 171.36 6.71 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.751 179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 57' ' ' ILE . 11.5 p -68.14 146.82 53.07 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.259 -179.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.439 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.09 50.75 9.03 Favored Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.523 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 8.9 tt0 -104.22 -19.14 14.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.907 0.384 . . . . 0.0 110.419 179.883 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -78.66 122.89 85.39 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.119 179.698 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.78 -6.7 16.23 Favored 'Trans proline' 0 N--CA 1.493 1.454 0 C-N-CA 122.25 1.967 . . . . 0.0 112.176 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -49.71 -70.56 0.78 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -97.48 154.64 17.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 111.048 -179.634 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.6 m -71.96 85.62 0.99 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.184 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.553 ' CD1' ' O1D' ' A' ' 201' ' ' HEC . 28.9 m-85 -60.49 152.66 25.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.237 -179.466 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -81.88 160.42 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 54' ' ' ASN . 12.8 m-20 -53.88 -41.07 67.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.544 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.619 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -55.87 -41.32 74.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -80.81 -26.22 37.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.037 0.446 . . . . 0.0 110.139 179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.0 tttm -84.8 -11.9 54.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.619 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.38 -19.13 65.81 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.336 179.852 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.544 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 7.8 mtpt 58.74 64.14 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.195 -179.782 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.86 -44.12 6.16 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -179.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.728 ' C ' HD12 ' A' ' 57' ' ' ILE . 2.0 pp -144.22 171.73 6.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 110.436 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.517 ' N ' HD12 ' A' ' 57' ' ' ILE . 19.3 m -110.62 140.91 44.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.127 -179.507 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.632 ' CE3' HD12 ' A' ' 35' ' ' LEU . 3.4 m0 -62.79 137.82 58.36 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.842 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.557 ' N ' ' OG1' ' A' ' 63' ' ' THR . 55.0 mtmt -154.38 -162.71 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 65' ' ' MET . 35.4 tt0 -76.36 -58.44 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.75 -44.57 73.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.798 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 76.0 p -50.93 -38.26 49.15 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' A' ' 35' ' ' LEU . 3.1 mt -68.9 -35.44 76.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.021 179.78 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 61' ' ' GLU . 26.1 mtp -59.75 -57.19 13.97 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.038 -179.71 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.54 -29.69 70.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.038 0.447 . . . . 0.0 109.945 179.894 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 9.4 t80 -77.87 -26.54 49.31 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.148 179.471 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.746 HD21 HMB2 ' A' ' 201' ' ' HEC . 14.7 mt -79.08 -22.09 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.559 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 13.0 tt0 -92.25 -13.0 31.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 109.834 179.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 3.2 p-10 -168.97 66.65 0.64 Allowed Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.483 179.85 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.66 -38.79 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.803 0 C-N-CA 123.087 2.524 . . . . 0.0 112.834 -179.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.488 ' NZ ' ' H ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER -77.3 -47.91 18.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.948 -178.827 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -64.79 -18.02 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.488 -178.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -75.9 -57.14 4.06 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.634 -0.426 . . . . 0.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.1 mt -127.3 72.18 76.97 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.948 179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 80.2 Cg_exo -41.83 127.07 3.54 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.79 2.326 . . . . 0.0 112.344 -179.551 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.488 ' H ' ' NZ ' ' A' ' 72' ' ' LYS . . . 117.63 -30.44 6.18 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -55.39 142.54 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.653 0.264 . . . . 0.0 110.313 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.419 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 4.0 tmtt? -89.48 91.43 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.075 0.464 . . . . 0.0 110.992 -179.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.602 ' C ' HD12 ' A' ' 81' ' ' ILE . 17.2 ttt -173.22 95.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.175 179.346 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.602 HD12 ' C ' ' A' ' 80' ' ' MET . 1.7 mp -107.89 104.44 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.115 179.861 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 83' ' ' ALA . 19.7 t80 -151.5 163.92 37.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.462 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.546 ' N ' ' CD1' ' A' ' 82' ' ' PHE . . . -68.16 112.22 4.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.752 -179.822 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -178.85 0.67 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.501 HD13 ' NZ ' ' A' ' 13' ' ' LYS . 3.5 mm -88.32 160.18 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.867 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' N ' HG22 ' A' ' 85' ' ' ILE . 21.9 mtpp -102.0 -70.08 0.76 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.081 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -79.45 161.19 26.25 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.093 0.473 . . . . 0.0 111.417 -178.925 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -71.2 -45.9 62.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.242 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.9 p -57.97 -26.04 61.8 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.165 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' NH2' ' OE1' ' A' ' 69' ' ' GLU . 28.0 mtm180 -77.01 -50.49 13.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 178.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -53.51 57.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.938 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -57.72 -52.09 66.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.856 179.249 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.37 -36.29 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.179 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 68' ' ' LEU . 27.3 mt -76.94 -28.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.774 -179.107 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.89 -35.76 81.73 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -76.59 -45.51 30.0 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.765 179.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 102' ' ' THR . 14.4 mt -55.34 -22.88 21.11 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.034 179.68 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 36.6 mtpt -79.82 -52.23 8.16 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.721 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -74.26 -17.5 60.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.654 -179.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.29 -32.29 21.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 98' ' ' LEU . 55.0 p -91.46 -4.47 55.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.306 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.432 ' N ' HD22 ' A' ' 103' ' ' ASN . 0.9 OUTLIER -95.61 -24.24 16.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 -179.897 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.578 -179.968 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.746 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.769 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.413 ' O ' ' CB ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.33 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' C ' ' N ' ' A' ' 4' ' ' GLU . 99.4 m-20 -93.92 83.89 4.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.636 -179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.3 p -46.83 -19.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.443 179.622 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 2' ' ' ASP . 24.3 mm-40 -72.61 -58.63 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.574 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -71.15 -20.06 62.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.45 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.5 -33.51 67.75 Favored Glycine 0 CA--C 1.518 0.271 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 178.764 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -69.5 -43.41 73.16 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' O ' ' NE2' ' A' ' 12' ' ' GLN . 4.2 tmmm? -59.42 -48.64 80.86 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.2 0.524 . . . . 0.0 110.698 179.913 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 60.6 mt -65.08 -25.88 38.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.789 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.521 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.9 t80 -78.06 -52.27 9.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.121 -178.759 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 29.7 m -53.51 -30.99 18.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.856 0.36 . . . . 0.0 111.049 -178.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 8' ' ' LYS . 0.5 OUTLIER -96.68 -22.94 16.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -178.586 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -101.43 -64.67 1.03 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.313 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.485 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.8 m -85.47 -36.39 20.61 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -176.172 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.91 -26.96 1.9 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.607 -179.087 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -47.23 -67.34 0.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.636 -179.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.596 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.47 45.34 1.82 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.753 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.596 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.7 m-70 -153.14 -177.75 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.915 179.212 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.41 -38.27 0.68 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.509 -179.593 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.521 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.0 m 42.39 33.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.687 179.885 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 5.4 pt-20 -132.95 111.37 10.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.068 0.461 . . . . 0.0 110.397 179.521 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.08 126.79 19.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.702 -179.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.1 21.66 58.63 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.68 -142.79 12.35 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -151.67 121.69 7.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.843 0.354 . . . . 0.0 110.251 179.787 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -54.09 121.82 8.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -114.84 96.52 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.903 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 28' ' ' THR . 14.8 m 59.85 27.33 16.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.978 -179.472 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 172.6 153.32 9.27 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.95 171.21 12.74 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 C-N-CA 122.597 2.198 . . . . 0.0 112.216 -179.839 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.471 ' CA ' ' O ' ' A' ' 304' ' ' HOH . 14.9 p30 -98.78 128.76 45.11 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.525 179.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.99 34.07 0.29 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.582 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 55.8 m170 -59.57 140.61 56.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.086 179.577 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 34.6 30.72 0.01 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.749 ' CD2' HD11 ' A' ' 64' ' ' LEU . 4.9 tp -46.81 -57.58 4.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.115 0.483 . . . . 0.0 110.919 -179.602 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.9 m-85 -53.25 92.12 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.524 -179.285 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.05 -27.87 2.52 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.65 178.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.582 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 11.7 mtm180 -87.61 147.64 25.2 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 117.263 0.531 . . . . 0.0 111.336 -178.955 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' H ' ' NE2' ' A' ' 42' ' ' GLN . 31.7 mmtt -68.14 168.89 11.25 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.745 179.79 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 52' ' ' ASN . 13.3 p -65.91 147.67 53.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.0 50.64 8.8 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.676 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' NE2' ' H ' ' A' ' 39' ' ' LYS . 13.7 tt0 -114.06 -9.06 13.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.589 0.233 . . . . 0.0 110.767 -179.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.594 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -73.19 118.38 68.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.355 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.89 117.33 3.89 Favored 'Trans proline' 0 C--N 1.313 -1.31 0 C-N-CA 122.404 2.07 . . . . 0.0 112.071 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 157.08 -75.38 0.21 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -77.86 153.9 32.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.71 0.29 . . . . 0.0 110.575 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.5 m -76.71 82.48 3.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.603 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 12.2 m-85 -60.39 154.4 20.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.383 -179.934 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.785 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.4 p -81.9 160.37 23.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.914 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 54' ' ' ASN . 3.1 m-20 -58.05 -44.26 87.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.518 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.621 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.36 -39.75 67.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.612 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.4 m-20 -81.15 -28.28 35.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.229 179.801 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -84.68 -9.94 57.77 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.621 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.13 -19.22 65.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.965 179.667 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.549 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 38.3 mtpt 55.43 63.98 1.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.453 179.859 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -88.23 -41.25 6.26 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -179.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.599 HD12 ' N ' ' A' ' 58' ' ' THR . 2.4 pp -137.56 -178.86 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.599 ' N ' HD12 ' A' ' 57' ' ' ILE . 53.1 m -121.83 140.79 51.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.039 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.629 ' CZ2' ' O1A' ' A' ' 201' ' ' HEC . 4.4 m0 -62.95 137.46 58.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.943 179.427 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.567 ' N ' ' OG1' ' A' ' 63' ' ' THR . 53.6 mtmt -156.03 -163.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.875 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -76.31 -58.42 3.29 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.666 -179.875 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -69.95 -40.08 75.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.807 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.567 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 81.1 p -56.65 -37.35 70.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 109.77 179.656 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.848 HD13 ' O ' ' A' ' 301' ' ' HOH . 2.3 mt -67.81 -35.5 78.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.999 179.781 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 19.0 mtp -56.17 -57.02 13.98 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.661 -179.767 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 35.2 mm-40 -59.73 -29.8 68.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.065 0.46 . . . . 0.0 109.872 179.742 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -78.23 -26.93 47.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.325 179.456 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 95' ' ' ILE . 8.7 mt -80.37 -21.81 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.136 -179.187 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' OE1' ' O ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -99.04 -6.41 28.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.025 0.441 . . . . 0.0 110.234 179.726 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.679 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 2.9 p-10 -171.73 69.44 0.46 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -53.44 -37.18 81.75 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.924 2.416 . . . . 0.0 112.979 -179.491 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.694 ' HE2' HD11 ' A' ' 81' ' ' ILE . 3.1 tppp? -81.11 -47.91 12.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.862 -178.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ttpt -60.09 -33.88 72.7 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.387 -178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.463 ' N ' HD22 ' A' ' 70' ' ' ASN . 2.4 t80 -66.01 -56.87 9.4 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.314 -179.82 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.1 mt -128.83 69.5 80.33 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.278 179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 83.9 Cg_exo -42.07 135.38 3.96 Favored 'Trans proline' 0 C--N 1.307 -1.614 0 C-N-CA 122.726 2.284 . . . . 0.0 112.153 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.785 ' O ' HG21 ' A' ' 49' ' ' THR . . . 113.29 -33.18 5.69 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -179.786 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.0 t -55.28 137.58 47.19 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 179.847 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 61.0 mttt -82.36 91.4 6.81 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.118 -179.573 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.719 ' C ' HD12 ' A' ' 81' ' ' ILE . 10.4 ttt -173.45 95.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.135 179.259 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.719 HD12 ' C ' ' A' ' 80' ' ' MET . 3.5 mp -129.32 98.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.043 179.284 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -134.73 -74.04 0.47 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.66 -179.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -172.3 117.02 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.57 -179.68 31.94 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 -179.922 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.5 mm -92.29 159.42 2.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' N ' HG22 ' A' ' 85' ' ' ILE . 61.1 mttt -103.94 -68.45 0.84 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.683 -179.207 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -80.1 162.71 24.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.251 0.548 . . . . 0.0 111.617 -178.747 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 13.8 tttt -71.1 -53.66 13.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.41 179.746 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -51.26 -26.53 7.39 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.383 -179.868 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -67.67 -39.44 84.51 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 179.252 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.67 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.6 mtm105 -76.45 -47.37 23.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.177 179.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -59.57 -53.41 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.685 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -59.1 -49.48 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.974 179.354 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.5 tp -57.98 -38.79 76.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.343 179.645 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.67 HD12 ' O ' ' A' ' 91' ' ' ARG . 4.6 mt -74.53 -27.47 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.214 -179.413 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.62 81.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.674 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -76.55 -44.02 36.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.897 179.211 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 301' ' ' HOH . 12.1 mt -57.32 -23.47 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.164 179.831 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -80.09 -50.6 10.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.634 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -75.38 -18.98 59.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.711 -179.739 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.27 -31.88 21.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.762 -179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 98' ' ' LEU . 67.8 p -89.98 -7.54 53.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.148 0.499 . . . . 0.0 110.104 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . 1.0 OUTLIER -89.43 -24.17 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.397 179.94 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ASN . 13.6 mm-40 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.629 ' O1A' ' CZ2' ' A' ' 59' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.848 ' O ' HD13 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.471 ' O ' ' CA ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.427 ' C ' ' N ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -136.58 84.73 2.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.725 179.902 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -46.37 -19.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.317 179.569 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' N ' ' C ' ' A' ' 2' ' ' ASP . 56.0 mt-10 -74.4 -58.69 3.13 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -72.33 -19.39 61.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.963 0.411 . . . . 0.0 109.997 179.749 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.95 -35.82 61.28 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 178.584 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -66.95 -43.93 81.86 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.067 -0.567 . . . . 0.0 109.722 178.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.61 -46.0 81.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.026 0.441 . . . . 0.0 110.81 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.1 mt -68.43 -22.98 27.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.86 -179.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.541 ' CE2' HG21 ' A' ' 20' ' ' VAL . 1.5 t80 -81.57 -52.08 7.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.457 -179.209 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.494 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 27.2 m -54.83 -31.95 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.254 -178.852 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -93.42 -26.84 17.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -178.583 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -101.71 -64.43 1.06 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -177.699 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' SG ' HMB1 ' A' ' 201' ' ' HEC . 1.9 m -81.33 -39.35 25.25 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 -176.465 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.68 -26.87 1.68 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.201 -0.6 . . . . 0.0 110.804 -178.791 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -48.14 -65.69 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.607 -179.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.609 ' O ' ' ND1' ' A' ' 18' ' ' HIS . 0.0 OUTLIER -116.05 45.78 1.68 Allowed 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.609 ' ND1' ' O ' ' A' ' 17' ' ' CYS . 8.8 m-70 -154.42 -177.55 6.54 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 120.344 -0.542 . . . . 0.0 111.401 179.377 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -136.13 -39.21 0.68 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.393 -179.627 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.541 HG21 ' CE2' ' A' ' 10' ' ' PHE . 15.5 m 42.71 29.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.604 179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.544 ' O ' ' NE2' ' A' ' 33' ' ' HIS . 3.1 pt-20 -123.13 130.94 53.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.047 0.451 . . . . 0.0 110.339 179.435 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -69.2 122.26 18.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.879 -179.568 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.97 19.82 62.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 179.442 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.15 -138.1 7.08 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.752 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -151.6 116.48 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -62.66 134.17 55.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.65 -179.906 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' C ' ' N ' ' A' ' 29' ' ' GLY . 53.5 pttt -140.22 138.53 35.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.136 179.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.8 m 42.7 27.35 0.09 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.156 0.503 . . . . 0.0 110.025 -179.543 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 27' ' ' LYS . . . 159.58 155.84 7.86 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -70.26 177.03 6.36 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.546 2.164 . . . . 0.0 112.074 -179.86 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.464 ' O ' HD23 ' A' ' 32' ' ' LEU . 13.6 p30 -96.45 163.28 13.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.786 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 31' ' ' ASN . 15.8 mt -116.36 35.53 4.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.646 0.26 . . . . 0.0 110.617 179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' O ' ' NH2' ' A' ' 38' ' ' ARG . 18.5 m170 -60.2 141.0 56.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.355 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 33' ' ' HIS . . . 33.05 33.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.75 ' CD2' HD11 ' A' ' 64' ' ' LEU . 7.9 tp -43.7 -57.45 3.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.124 0.488 . . . . 0.0 111.23 -179.399 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.583 ' CE2' HD12 ' A' ' 64' ' ' LEU . 22.6 m-85 -56.76 91.79 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.369 -179.039 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.55 -27.85 2.34 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.498 179.002 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' NH2' ' O ' ' A' ' 33' ' ' HIS . 15.5 mtm180 -85.61 156.38 20.74 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 117.202 0.501 . . . . 0.0 111.392 -179.13 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.555 ' O ' ' CZ2' ' A' ' 59' ' ' TRP . 7.9 mmtm -78.75 167.11 21.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.595 179.811 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' NE1' ' A' ' 59' ' ' TRP . 17.8 p -65.33 145.59 55.99 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.924 0.392 . . . . 0.0 111.241 -179.814 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.502 ' HA2' ' CD1' ' A' ' 48' ' ' TYR . . . 45.13 50.75 9.17 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.444 ' OE1' ' O ' ' A' ' 42' ' ' GLN . 0.1 OUTLIER -115.01 -8.73 12.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.641 0.258 . . . . 0.0 110.747 -179.744 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 48' ' ' TYR . . . -75.22 122.24 86.93 Favored Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -78.86 119.12 4.27 Favored 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 122.364 2.043 . . . . 0.0 112.014 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.11 -83.1 0.15 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -70.99 147.8 48.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.358 . . . . 0.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.38 81.94 0.77 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.535 -179.914 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.562 ' CE2' ' HB3' ' A' ' 43' ' ' ALA . 12.1 m-85 -58.42 152.12 18.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.651 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' O ' ' A' ' 77' ' ' GLY . 80.2 p -80.82 157.17 25.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.422 179.853 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' ASN . 38.1 t0 -56.13 -44.55 79.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' O ' ' ND2' ' A' ' 54' ' ' ASN . . . -54.81 -38.12 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 40' ' ' THR . 2.2 m-20 -81.04 -29.05 35.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.164 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -84.31 -9.75 58.21 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.728 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.614 ' ND2' ' O ' ' A' ' 51' ' ' ALA . 0.0 OUTLIER -65.01 -19.12 65.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.076 179.752 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' N ' ' ND2' ' A' ' 54' ' ' ASN . 53.4 mttp 55.42 64.23 1.83 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.548 179.749 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.47 -38.39 6.67 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.664 HD12 ' N ' ' A' ' 58' ' ' THR . 1.9 pp -142.42 176.69 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.822 0.344 . . . . 0.0 110.561 -179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.664 ' N ' HD12 ' A' ' 57' ' ' ILE . 86.0 m -115.72 140.83 48.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 -179.492 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CE3' HD12 ' A' ' 35' ' ' LEU . 4.6 m0 -63.69 136.86 57.8 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 178.914 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.561 ' N ' ' OG1' ' A' ' 63' ' ' THR . 54.6 mtmt -156.15 -165.35 1.9 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.929 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' A' ' 99' ' ' LYS . 32.8 tt0 -74.06 -58.28 3.4 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.816 -179.864 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -69.83 -40.62 75.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.01 -179.707 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.561 ' OG1' ' N ' ' A' ' 60' ' ' LYS . 61.6 p -57.34 -36.64 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 179.779 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.883 HD22 ' O ' ' A' ' 301' ' ' HOH . 4.3 mt -67.42 -36.42 81.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.946 179.698 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.6 mtp -56.74 -56.75 17.45 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.805 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -59.2 -29.56 67.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.007 0.432 . . . . 0.0 110.025 179.861 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -77.95 -29.36 49.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.463 179.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.645 HD21 HMB2 ' A' ' 201' ' ' HEC . 23.0 mt -78.59 -23.78 45.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.251 -179.374 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -91.54 -9.53 43.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.009 0.433 . . . . 0.0 110.527 -179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.625 ' ND2' ' H ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -175.04 70.24 0.28 Allowed Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.957 -179.819 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -49.72 -35.99 40.31 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 123.309 2.673 . . . . 0.0 113.386 -179.123 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.472 ' NZ ' HD11 ' A' ' 81' ' ' ILE . 4.0 tppt? -79.48 -48.07 14.53 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.633 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.625 ' H ' ' ND2' ' A' ' 70' ' ' ASN . 1.8 tmtp? -59.79 -33.49 71.78 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.299 -178.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.22 -57.44 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.316 -179.823 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.69 70.85 82.13 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.73 179.483 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.515 ' O ' ' CB ' ' A' ' 51' ' ' ALA . 85.4 Cg_exo -40.72 152.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.845 2.363 . . . . 0.0 112.235 -179.418 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' O ' HG21 ' A' ' 49' ' ' THR . . . 91.26 -29.79 6.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -179.723 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.4 t -55.37 142.03 33.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.706 0.289 . . . . 0.0 110.327 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' O ' ' C2D' ' A' ' 201' ' ' HEC . 5.4 mmmt -85.94 91.42 8.37 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.073 -179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.9 ttt -176.07 96.12 0.06 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.64 179.322 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.472 HD11 ' NZ ' ' A' ' 72' ' ' LYS . 5.3 mp -134.23 81.39 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 179.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -113.97 -67.75 0.98 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.545 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -177.34 118.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.429 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.88 173.83 41.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 86' ' ' LYS . 3.9 mm -87.87 162.76 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 179.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' N ' HG22 ' A' ' 85' ' ' ILE . 53.3 tttp -105.17 -66.74 0.95 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.207 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -83.22 162.64 21.14 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.038 0.447 . . . . 0.0 111.304 -179.015 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -71.02 -52.54 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.438 179.809 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 65.4 p -51.32 -26.46 7.55 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.341 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -68.97 -37.78 78.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -76.94 -47.46 20.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.145 179.039 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -60.13 -53.22 60.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.865 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.13 -52.25 66.35 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.262 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.5 tp -54.72 -40.05 68.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.072 179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.652 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.8 mt -74.17 -28.73 23.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 -179.242 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.28 -34.93 79.12 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.223 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.82 -36.87 67.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.367 178.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 95' ' ' ILE . 13.3 mt -58.91 -47.57 84.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.042 179.464 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' A' ' 61' ' ' GLU . 53.6 mtmt -56.74 -55.1 38.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.192 -179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 48.8 mttm -70.21 -25.45 63.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.41 -179.313 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.495 ' O ' ' O ' ' A' ' 20' ' ' VAL . . . -86.21 -21.89 27.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.627 0.251 . . . . 0.0 111.201 -179.438 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 98' ' ' LEU . 35.6 p -95.14 3.08 55.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.019 0.438 . . . . 0.0 110.138 -179.795 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.52 -23.77 13.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.196 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.421 179.838 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 201' ' ' HEC . . . . . 0.645 HMB2 HD21 ' A' ' 68' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.883 ' O ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.455 ' O ' ' O ' ' A' ' 31' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_